2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide

C13H17N3O3 — CID 64824627

IUPAC2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O3/c14-12-6-2-5-11(12)13(17)15-8-9-3-1-4-10(7-9)16(18)19/h1,3-4,7,11-12H,2,5-6,8,14H2,(H,15,17)
InChIKeyFEGVIYYPNGJWLC-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.34
Rot. Bonds4

About 2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide

2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 64824627) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide
PubChem CID64824627
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O3/c14-12-6-2-5-11(12)13(17)15-8-9-3-1-4-10(7-9)16(18)19/h1,3-4,7,11-12H,2,5-6,8,14H2,(H,15,17)
InChIKeyFEGVIYYPNGJWLC-UHFFFAOYSA-N
XLogP1.34
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.34
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-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119775473
4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63715680
4-(aminomethyl)-N-[(3-nitrophenyl)methyl]cyclohexane-1-carboxamide
CID 79519883
N-[(3-nitrophenyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892967
2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide
CID 103109475
2-[(3-nitrophenyl)methyl]cyclopentan-1-amine
CID 61381561
N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
CID 104541060
2-nitro-N-[(3-nitrophenyl)methyl]acetamide
CID 12512112
2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62505597
2-amino-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 64824475
2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823496
2-amino-N-[(4-sulfamoylphenyl)methyl]cyclopentane-1-carboxamide
CID 64818110

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide (CID 64824627) is 2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide is NC1CCCC1C(=O)NCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is FEGVIYYPNGJWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-12-6-2-5-11(12)13(17)15-8-9-3-1-4-10(7-9)16(18)19/h1,3-4,7,11-12H,2,5-6,8,14H2,(H,15,17).
What are the key properties of 2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide?
2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 64824627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).