tert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate

C17H30N6O3 — CID 59453822

IUPACtert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate
SMILESCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C17H30N6O3/c1-5-6-9-13(19-16(25)26-17(2,3)4)15(24)18-12-10-7-8-11(12)14-20-22-23-21-14/h11-13H,5-10H2,1-4H3,(H,18,24)(H,19,25)(H,20,21,22,23)/t11-,12+,13+/m1/s1
InChIKeyKFXPDRIQNHQHEK-AGIUHOORSA-N
MW366.47 g/mol
LogP2.04
Rot. Bonds7

About tert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate

tert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate (PubChem CID 59453822) has the molecular formula C17H30N6O3 and a molecular weight of 366.47 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate
PubChem CID59453822
Molecular FormulaC17H30N6O3
Molecular Weight366.47 g/mol
Exact Mass366.24
IUPAC Nametert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate
SMILESCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C17H30N6O3/c1-5-6-9-13(19-16(25)26-17(2,3)4)15(24)18-12-10-7-8-11(12)14-20-22-23-21-14/h11-13H,5-10H2,1-4H3,(H,18,24)(H,19,25)(H,20,21,22,23)/t11-,12+,13+/m1/s1
InChIKeyKFXPDRIQNHQHEK-AGIUHOORSA-N
XLogP2.04
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate 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 tert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate (CID 59453822) is tert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate is CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1.
What is the InChIKey of tert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate?
The InChIKey is KFXPDRIQNHQHEK-AGIUHOORSA-N. The full InChI is InChI=1S/C17H30N6O3/c1-5-6-9-13(19-16(25)26-17(2,3)4)15(24)18-12-10-7-8-11(12)14-20-22-23-21-14/h11-13H,5-10H2,1-4H3,(H,18,24)(H,19,25)(H,20,21,22,23)/t11-,12+,13+/m1/s1.
What are the key properties of tert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate?
tert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate has a molecular weight of 366.47 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate is sourced from PubChem (CID 59453822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).