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

C12H22N6O — CID 59454005

IUPAC(4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide
SMILESCC[C@H](N)CCC(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C12H22N6O/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)/t8-,9+,10-/m0/s1
InChIKeyHDGBGFYJKJEDHM-AEJSXWLSSA-N
MW266.35 g/mol
LogP0.47
Rot. Bonds6

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

(4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide (PubChem CID 59454005) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide.

Molecular Properties

Compound Name(4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide
PubChem CID59454005
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name(4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide
SMILESCC[C@H](N)CCC(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C12H22N6O/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)/t8-,9+,10-/m0/s1
InChIKeyHDGBGFYJKJEDHM-AEJSXWLSSA-N
XLogP0.47
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide?
The IUPAC name of (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide (CID 59454005) is (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide.
What is the SMILES notation for (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide?
The canonical SMILES for (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide is CC[C@H](N)CCC(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1.
What is the InChIKey of (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide?
The InChIKey is HDGBGFYJKJEDHM-AEJSXWLSSA-N. The full InChI is InChI=1S/C12H22N6O/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)/t8-,9+,10-/m0/s1.
What are the key properties of (4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide?
(4S)-4-amino-N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]hexanamide has a molecular weight of 266.35 g/mol, XLogP of 0.47, 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 is sourced from PubChem (CID 59454005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).