[hydroxy(propan-2-yl)carbamoyl]formic acid
C₅H₉NO₄·147.130 g/mol·CID 73284
IUPAC: 2-[hydroxy(propan-2-yl)amino]-2-oxoacetic acid
Also known as: 132418-03-2, (Hydroxy(propan-2-yl)carbamoyl)formic acid, RefChem:406515, 857-722-1, N-HYDROXY-N-ISOPROPYLOXAMIC ACID (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
147.130g/mol
Exact Mass
147.053158Da
Monoisotopic Mass
147.053158Da
XLogP
0.5
Polar Surface Area
77.8Ų
Complexity
154
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
4
Rotatable Bonds
2
Heavy Atoms
10
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 147.1 g/mol
MW ≤ 500
✓ 0.5
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H302Harmful if swallowedH315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₅H₉NO₄
(2S)-2-aminopentanedioic acid
CID 33032 · 147.1 g/mol
(2R)-2-(methylamino)butanedioic acid
CID 22880 · 147.1 g/mol
(2R)-2-aminopentanedioic acid
CID 23327 · 147.1 g/mol
2-aminopentanedioic acid
CID 611 · 147.1 g/mol
(2S)-2-acetamido-3-hydroxypropanoic acid
CID 65249 · 147.1 g/mol
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 99478 · 147.1 g/mol
2-(methylamino)butanedioic acid
CID 4376 · 147.1 g/mol
(2S)-2-azaniumyl-5-hydroxy-5-oxopentanoate
CID 44272391 · 147.1 g/mol