1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C15H15N3O5 — CID 119176423

IUPAC1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C15H15N3O5/c19-13(17-15(14(20)21)6-1-2-7-15)10-8-9-4-3-5-11(18(22)23)12(9)16-10/h3-5,8,16H,1-2,6-7H2,(H,17,19)(H,20,21)
InChIKeyYSZPVOFEUKDBPD-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.20
Rot. Bonds4

About 1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 119176423) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID119176423
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C15H15N3O5/c19-13(17-15(14(20)21)6-1-2-7-15)10-8-9-4-3-5-11(18(22)23)12(9)16-10/h3-5,8,16H,1-2,6-7H2,(H,17,19)(H,20,21)
InChIKeyYSZPVOFEUKDBPD-UHFFFAOYSA-N
XLogP2.20
TPSA125.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.20
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

N-[[1-(dimethylamino)cyclopentyl]methyl]-7-nitro-1H-indole-2-carboxamide
CID 51123998
4-[[(7-nitro-1H-indole-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542786
7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide
CID 44556283
N-butyl-7-nitro-1H-indole-2-carboxamide
CID 2823660
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-7-nitro-1H-indole-2-carboxamide
CID 71938416
1-[(5-nitrothiophene-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 60811308
N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-nitro-1H-indole-2-carboxamide
CID 100904472
1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119168017
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43341202
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-nitro-1H-indol-2-yl)methanone
CID 51085910
7-amino-N-[1-(hydroxymethyl)cyclopentyl]-1H-indole-2-carboxamide
CID 63117982
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-7-nitro-1H-indole-2-carboxamide
CID 170459487

Frequently Asked Questions

What is the IUPAC name of 1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 119176423) is 1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1.
What is the InChIKey of 1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is YSZPVOFEUKDBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c19-13(17-15(14(20)21)6-1-2-7-15)10-8-9-4-3-5-11(18(22)23)12(9)16-10/h3-5,8,16H,1-2,6-7H2,(H,17,19)(H,20,21).
What are the key properties of 1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 317.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119176423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).