1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H15N3O5 — CID 43341699

IUPAC1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H15N3O5/c17-11(18)13(6-1-2-7-13)15-12(19)14-9-4-3-5-10(8-9)16(20)21/h3-5,8H,1-2,6-7H2,(H,17,18)(H2,14,15,19)
InChIKeyMAVOKUMRFMNHLI-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.11
Rot. Bonds4

About 1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 43341699) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID43341699
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H15N3O5/c17-11(18)13(6-1-2-7-13)15-12(19)14-9-4-3-5-10(8-9)16(20)21/h3-5,8H,1-2,6-7H2,(H,17,18)(H2,14,15,19)
InChIKeyMAVOKUMRFMNHLI-UHFFFAOYSA-N
XLogP2.11
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.11
H-Bond Donors ≤ 53
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

1-[(4-nitrophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 22503951
1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107809508
1-cyano-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 55021433
N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 1108208
1-[[2-(3-nitrophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 115910172
1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095390
1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61196688
1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 81485238
1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
CID 28540569
N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 3120388
N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 16558552
4-amino-1-(3-nitroanilino)cyclohexane-1-carboxylic acid
CID 67655150

Frequently Asked Questions

What is the IUPAC name of 1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 43341699) is 1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1cccc([N+](=O)[O-])c1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is MAVOKUMRFMNHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c17-11(18)13(6-1-2-7-13)15-12(19)14-9-4-3-5-10(8-9)16(20)21/h3-5,8H,1-2,6-7H2,(H,17,18)(H2,14,15,19).
What are the key properties of 1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 293.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43341699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).