2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid

C12H11FN2O5 — CID 62694999

IUPAC2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C12H11FN2O5/c13-9-4-3-7(15(19)20)5-8(9)11(16)14-10(12(17)18)6-1-2-6/h3-6,10H,1-2H2,(H,14,16)(H,17,18)
InChIKeyHRPSAVZLUZAJIE-UHFFFAOYSA-N
MW282.23 g/mol
LogP1.33
Rot. Bonds5

About 2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid

2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid (PubChem CID 62694999) has the molecular formula C12H11FN2O5 and a molecular weight of 282.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid
PubChem CID62694999
Molecular FormulaC12H11FN2O5
Molecular Weight282.23 g/mol
Exact Mass282.07
IUPAC Name2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C12H11FN2O5/c13-9-4-3-7(15(19)20)5-8(9)11(16)14-10(12(17)18)6-1-2-6/h3-6,10H,1-2H2,(H,14,16)(H,17,18)
InChIKeyHRPSAVZLUZAJIE-UHFFFAOYSA-N
XLogP1.33
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 51.33
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-[(2-fluoro-3-methyl-5-nitrobenzoyl)amino]acetic acid
CID 103296985
(2R)-2-[(2-fluoro-5-nitrobenzoyl)amino]propanoic acid
CID 54991135
N-(2-cyclopropyl-2-hydroxyethyl)-2-fluoro-5-nitrobenzamide
CID 63298381
2-cyclopropyl-2-[(3-nitrobenzoyl)amino]acetic acid
CID 62697230
2-[(2-fluoro-5-nitrobenzoyl)amino]butanoic acid
CID 43808760
3-[(2-fluoro-5-nitrobenzoyl)amino]butanoic acid
CID 43808757
(2S)-2-[(2-fluoro-5-nitrobenzoyl)amino]-4-methylpentanoic acid
CID 61137775
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
5-[(2-fluoro-5-nitrobenzoyl)amino]hexanoic acid
CID 82845763
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64814525
(2R)-2-[(2-fluoro-5-nitrobenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 104906248

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid (CID 62694999) is 2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid is O=C(NC(C(=O)O)C1CC1)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid?
The InChIKey is HRPSAVZLUZAJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O5/c13-9-4-3-7(15(19)20)5-8(9)11(16)14-10(12(17)18)6-1-2-6/h3-6,10H,1-2H2,(H,14,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid?
2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid has a molecular weight of 282.23 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-fluoro-5-nitrobenzoyl)amino]acetic acid is sourced from PubChem (CID 62694999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).