2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid

C12H12N2O5 — CID 62697230

IUPAC2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H12N2O5/c15-11(13-10(12(16)17)7-4-5-7)8-2-1-3-9(6-8)14(18)19/h1-3,6-7,10H,4-5H2,(H,13,15)(H,16,17)
InChIKeySOQVHNUTADVGCN-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.19
Rot. Bonds5

About 2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid

2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid (PubChem CID 62697230) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid
PubChem CID62697230
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H12N2O5/c15-11(13-10(12(16)17)7-4-5-7)8-2-1-3-9(6-8)14(18)19/h1-3,6-7,10H,4-5H2,(H,13,15)(H,16,17)
InChIKeySOQVHNUTADVGCN-UHFFFAOYSA-N
XLogP1.19
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-2-[(3-iodobenzoyl)amino]acetic acid
CID 62696091
N-[[(1S)-1-cyclopropylethyl]carbamoyl]-3-nitrobenzamide
CID 761570
2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
CID 55108280
2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid
CID 62694999
3-nitro-N-[[(3-nitrobenzoyl)amino]-(3-nitrophenyl)methyl]benzamide
CID 3606641
(2R)-4-amino-2-[(3-nitrobenzoyl)amino]-4-oxobutanoic acid
CID 30110651
N-(1-hydroxypropan-2-yl)-3-nitrobenzamide
CID 18712222
(2S)-3-methyl-2-[(3-nitrobenzoyl)amino]pentanoic acid
CID 61172538
2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 62697280
N-[(2-methylcyclopropyl)-phenylmethyl]-3-nitrobenzamide
CID 86956169
2-cyclopropyl-2-[[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 62696087
N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid (CID 62697230) is 2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid is O=C(NC(C(=O)O)C1CC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid?
The InChIKey is SOQVHNUTADVGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c15-11(13-10(12(16)17)7-4-5-7)8-2-1-3-9(6-8)14(18)19/h1-3,6-7,10H,4-5H2,(H,13,15)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid?
2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid has a molecular weight of 264.24 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid is sourced from PubChem (CID 62697230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).