2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid

C11H12N4O6 — CID 107435187

IUPAC2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H12N4O6/c12-9(16)5-14(6-10(17)18)11(19)13-7-1-3-8(4-2-7)15(20)21/h1-4H,5-6H2,(H2,12,16)(H,13,19)(H,17,18)
InChIKeySSZVXCRZTLWSLU-UHFFFAOYSA-N
MW296.24 g/mol
LogP-0.00
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid (PubChem CID 107435187) has the molecular formula C11H12N4O6 and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid
PubChem CID107435187
Molecular FormulaC11H12N4O6
Molecular Weight296.24 g/mol
Exact Mass296.08
IUPAC Name2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H12N4O6/c12-9(16)5-14(6-10(17)18)11(19)13-7-1-3-8(4-2-7)15(20)21/h1-4H,5-6H2,(H2,12,16)(H,13,19)(H,17,18)
InChIKeySSZVXCRZTLWSLU-UHFFFAOYSA-N
XLogP-0.00
TPSA155.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(2-amino-2-oxoethyl)-(4-nitrobenzoyl)amino]acetic acid
CID 107433891
2-[(2-amino-2-oxoethyl)-[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 107433905
2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 107437614
2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid
CID 107437327
2-[(3-chlorophenyl)carbamoyl-[(4-nitrophenyl)methyl]amino]acetic acid
CID 10713775
2-[N-(carboxymethyl)-4-nitroanilino]acetic acid
CID 21205647
3-[(4-nitrophenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 60829429
2-[[2-(4-nitroanilino)-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79272672
(3S)-3-amino-4-(4-nitroanilino)-4-oxobutanoic acid
CID 22859396
2-amino-N-(4-nitrophenyl)butanediamide
CID 54928056
3-(4-nitrophenyl)-1-propyl-1-prop-2-ynylurea
CID 78969976
1-(2-chloroethyl)-1-methyl-3-(4-nitrophenyl)urea
CID 106441668

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid (CID 107435187) is 2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid?
The InChIKey is SSZVXCRZTLWSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O6/c12-9(16)5-14(6-10(17)18)11(19)13-7-1-3-8(4-2-7)15(20)21/h1-4H,5-6H2,(H2,12,16)(H,13,19)(H,17,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid has a molecular weight of 296.24 g/mol, XLogP of -0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107435187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).