tert-butyl N-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]carbamate

C17H32N2O4 — CID 97255855

IUPACtert-butyl N-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NC(C)(C)C(C)(C)O)C1
InChIInChI=1S/C17H32N2O4/c1-15(2,3)23-14(21)18-12-9-8-11(10-12)13(20)19-16(4,5)17(6,7)22/h11-12,22H,8-10H2,1-7H3,(H,18,21)(H,19,20)/t11-,12+/m0/s1
InChIKeyHPGUCAGWDHPKAP-NWDGAFQWSA-N
MW328.45 g/mol
LogP2.35
Rot. Bonds4

About tert-butyl N-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]carbamate

tert-butyl N-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]carbamate (PubChem CID 97255855) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl N-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]carbamate
PubChem CID97255855
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl N-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NC(C)(C)C(C)(C)O)C1
InChIInChI=1S/C17H32N2O4/c1-15(2,3)23-14(21)18-12-9-8-11(10-12)13(20)19-16(4,5)17(6,7)22/h11-12,22H,8-10H2,1-7H3,(H,18,21)(H,19,20)/t11-,12+/m0/s1
InChIKeyHPGUCAGWDHPKAP-NWDGAFQWSA-N
XLogP2.35
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]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-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]carbamate (CID 97255855) is tert-butyl N-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NC(C)(C)C(C)(C)O)C1.
What is the InChIKey of tert-butyl N-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]carbamate?
The InChIKey is HPGUCAGWDHPKAP-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-15(2,3)23-14(21)18-12-9-8-11(10-12)13(20)19-16(4,5)17(6,7)22/h11-12,22H,8-10H2,1-7H3,(H,18,21)(H,19,20)/t11-,12+/m0/s1.
What are the key properties of tert-butyl N-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]carbamate?
tert-butyl N-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]carbamate has a molecular weight of 328.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3S)-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]cyclopentyl]carbamate is sourced from PubChem (CID 97255855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).