tert-butyl N-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]carbamate

C16H23NO4 — CID 90089949

IUPACtert-butyl N-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccccc2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C16H23NO4/c1-15(2,3)21-14(20)17-16(9-12(18)13(19)10-16)11-7-5-4-6-8-11/h4-8,12-13,18-19H,9-10H2,1-3H3,(H,17,20)/t12-,13+,16?
InChIKeySWHQNXZAOHYMDV-OCZCAGDBSA-N
MW293.36 g/mol
LogP1.92
Rot. Bonds2

About tert-butyl N-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]carbamate

tert-butyl N-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]carbamate (PubChem CID 90089949) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]carbamate
PubChem CID90089949
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl N-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccccc2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C16H23NO4/c1-15(2,3)21-14(20)17-16(9-12(18)13(19)10-16)11-7-5-4-6-8-11/h4-8,12-13,18-19H,9-10H2,1-3H3,(H,17,20)/t12-,13+,16?
InChIKeySWHQNXZAOHYMDV-OCZCAGDBSA-N
XLogP1.92
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]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-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]carbamate (CID 90089949) is tert-butyl N-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccccc2)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of tert-butyl N-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]carbamate?
The InChIKey is SWHQNXZAOHYMDV-OCZCAGDBSA-N. The full InChI is InChI=1S/C16H23NO4/c1-15(2,3)21-14(20)17-16(9-12(18)13(19)10-16)11-7-5-4-6-8-11/h4-8,12-13,18-19H,9-10H2,1-3H3,(H,17,20)/t12-,13+,16?.
What are the key properties of tert-butyl N-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]carbamate?
tert-butyl N-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]carbamate has a molecular weight of 293.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4R)-3,4-dihydroxy-1-phenylcyclopentyl]carbamate is sourced from PubChem (CID 90089949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).