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

C14H19N3O3 — CID 103109475

IUPAC2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1c(CNC(=O)C2CCCC2N)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-9-10(4-2-7-13(9)17(19)20)8-16-14(18)11-5-3-6-12(11)15/h2,4,7,11-12H,3,5-6,8,15H2,1H3,(H,16,18)
InChIKeyYZGXTBXYVXJCSZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.65
Rot. Bonds4

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

2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 103109475) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide
PubChem CID103109475
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1c(CNC(=O)C2CCCC2N)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-9-10(4-2-7-13(9)17(19)20)8-16-14(18)11-5-3-6-12(11)15/h2,4,7,11-12H,3,5-6,8,15H2,1H3,(H,16,18)
InChIKeyYZGXTBXYVXJCSZ-UHFFFAOYSA-N
XLogP1.65
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.65
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

(2S)-N-[(2-methyl-3-nitrophenyl)methyl]piperidine-2-carboxamide
CID 103109314
N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 103109325
N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103113652
1-[(2-methyl-3-nitrophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 103113094
2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide
CID 64824627
2-amino-N-(naphthalen-1-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119709547
trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 139576412
2-[(2-methyl-3-nitrophenyl)methylamino]ethylurea
CID 83113507
N-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide
CID 103109432
2-amino-N-[(2-methyl-3-nitrophenyl)methyl]butanediamide
CID 103109428
methyl 2-cyclopropyl-2-[(2-methyl-3-nitrophenyl)methylamino]acetate
CID 103096992
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide (CID 103109475) is 2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide is Cc1c(CNC(=O)C2CCCC2N)cccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is YZGXTBXYVXJCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-10(4-2-7-13(9)17(19)20)8-16-14(18)11-5-3-6-12(11)15/h2,4,7,11-12H,3,5-6,8,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide?
2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 103109475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).