4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide

C13H22N2O — CID 81390649

IUPAC4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide
SMILESC[C@H](NC(=O)C1C=CC(N)C1)C1CCCC1
InChIInChI=1S/C13H22N2O/c1-9(10-4-2-3-5-10)15-13(16)11-6-7-12(14)8-11/h6-7,9-12H,2-5,8,14H2,1H3,(H,15,16)/t9-,11?,12?/m0/s1
InChIKeyFTVUAEKXIZFYNC-GCVQQVDUSA-N
MW222.33 g/mol
LogP1.58
Rot. Bonds3

About 4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide (PubChem CID 81390649) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide
PubChem CID81390649
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide
SMILESC[C@H](NC(=O)C1C=CC(N)C1)C1CCCC1
InChIInChI=1S/C13H22N2O/c1-9(10-4-2-3-5-10)15-13(16)11-6-7-12(14)8-11/h6-7,9-12H,2-5,8,14H2,1H3,(H,15,16)/t9-,11?,12?/m0/s1
InChIKeyFTVUAEKXIZFYNC-GCVQQVDUSA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid
CID 79207585
4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide
CID 79207526
4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide
CID 79207896
3-amino-N-(1-cyclopentylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119782445
4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide
CID 79210742
2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
CID 81392541
4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210630
4-amino-N-(2-hydroxycyclohexyl)cyclopent-2-ene-1-carboxamide
CID 79207326
4-amino-N-[(1R)-1-pyridin-4-ylethyl]cyclopent-2-ene-1-carboxamide
CID 81410168
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81385531
N-[(1R)-1-cyclohexylethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81386633
3-[[(1R)-1-cyclohexylethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 81390788

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide (CID 81390649) is 4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide is C[C@H](NC(=O)C1C=CC(N)C1)C1CCCC1.
What is the InChIKey of 4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is FTVUAEKXIZFYNC-GCVQQVDUSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(10-4-2-3-5-10)15-13(16)11-6-7-12(14)8-11/h6-7,9-12H,2-5,8,14H2,1H3,(H,15,16)/t9-,11?,12?/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 81390649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).