Ethyl nitroacetate
C₄H₇NO₄·133.100 g/mol·CID 69379
IUPAC: ethyl 2-nitroacetate
Also known as: 626-35-7, Nitroacetic acid ethyl ester, Acetic acid, nitro-, ethyl ester, Acetic acid, 2-nitro-, ethyl ester, NSC-42302 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
133.100g/mol
Exact Mass
133.037508Da
Monoisotopic Mass
133.037508Da
XLogP
0.5
Polar Surface Area
72.1Ų
Complexity
116
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
9
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 133.1 g/mol
MW ≤ 500
✓ 0.5
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₄H₇NO₄
(2S)-2-aminobutanedioic acid
CID 5960 · 133.1 g/mol
(2R)-2-aminobutanedioic acid
CID 83887 · 133.1 g/mol
2-aminobutanedioic acid
CID 424 · 133.1 g/mol
2-(carboxymethylamino)acetic acid
CID 8897 · 133.1 g/mol
(3S)-3-azaniumyl-4-hydroxy-4-oxobutanoate
CID 44367445 · 133.1 g/mol
(2S)-2-azaniumyl-4-hydroxy-4-oxobutanoate
CID 139060126 · 133.1 g/mol
(2S)-2-aminobutanedioate;hydron
CID 173074227 · 133.1 g/mol
(2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate
CID 139148725 · 133.1 g/mol