(4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride

C12H23ClN6O — CID 158444694

IUPAC(4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride
SMILESCC[C@H](N)CCC(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1.Cl
InChIInChI=1S/C12H22N6O.ClH/c1-2-8(13)6-7-11(19)14-10-5-3-4-9(10)12-15-17-18-16-12;/h8-10H,2-7,13H2,1H3,(H,14,19)(H,15,16,17,18);1H/t8-,9+,10-;/m0./s1
InChIKeyCZDATMOJIZJXGQ-JYNKJOSWSA-N
MW302.81 g/mol
LogP0.89
Rot. Bonds6

About (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride

(4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride (PubChem CID 158444694) has the molecular formula C12H23ClN6O and a molecular weight of 302.81 g/mol. Its IUPAC name is (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride.

Molecular Properties

Compound Name(4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride
PubChem CID158444694
Molecular FormulaC12H23ClN6O
Molecular Weight302.81 g/mol
Exact Mass302.16
IUPAC Name(4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride
SMILESCC[C@H](N)CCC(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1.Cl
InChIInChI=1S/C12H22N6O.ClH/c1-2-8(13)6-7-11(19)14-10-5-3-4-9(10)12-15-17-18-16-12;/h8-10H,2-7,13H2,1H3,(H,14,19)(H,15,16,17,18);1H/t8-,9+,10-;/m0./s1
InChIKeyCZDATMOJIZJXGQ-JYNKJOSWSA-N
XLogP0.89
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride?
The IUPAC name of (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride (CID 158444694) is (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride.
What is the SMILES notation for (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride?
The canonical SMILES for (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride is CC[C@H](N)CCC(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1.Cl.
What is the InChIKey of (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride?
The InChIKey is CZDATMOJIZJXGQ-JYNKJOSWSA-N. The full InChI is InChI=1S/C12H22N6O.ClH/c1-2-8(13)6-7-11(19)14-10-5-3-4-9(10)12-15-17-18-16-12;/h8-10H,2-7,13H2,1H3,(H,14,19)(H,15,16,17,18);1H/t8-,9+,10-;/m0./s1.
What are the key properties of (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride?
(4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide;hydrochloride is sourced from PubChem (CID 158444694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).