[(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] carbamate

C17H31NO4 — CID 67797435

IUPAC[(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] carbamate
SMILESNC(=O)O[C@@H](CC1CCCCC1)[C@H](O)[C@@H](O)C1CCCCC1
InChIInChI=1S/C17H31NO4/c18-17(21)22-14(11-12-7-3-1-4-8-12)16(20)15(19)13-9-5-2-6-10-13/h12-16,19-20H,1-11H2,(H2,18,21)/t14-,15-,16-/m0/s1
InChIKeyOCNNVDAXKCURTA-JYJNAYRXSA-N
MW313.44 g/mol
LogP2.72
Rot. Bonds6

About [(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] carbamate

[(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] carbamate (PubChem CID 67797435) has the molecular formula C17H31NO4 and a molecular weight of 313.44 g/mol. Its IUPAC name is [(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] carbamate
PubChem CID67797435
Molecular FormulaC17H31NO4
Molecular Weight313.44 g/mol
Exact Mass313.23
IUPAC Name[(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] carbamate
SMILESNC(=O)O[C@@H](CC1CCCCC1)[C@H](O)[C@@H](O)C1CCCCC1
InChIInChI=1S/C17H31NO4/c18-17(21)22-14(11-12-7-3-1-4-8-12)16(20)15(19)13-9-5-2-6-10-13/h12-16,19-20H,1-11H2,(H2,18,21)/t14-,15-,16-/m0/s1
InChIKeyOCNNVDAXKCURTA-JYJNAYRXSA-N
XLogP2.72
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-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 [(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] carbamate?
The IUPAC name of [(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] carbamate (CID 67797435) is [(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] carbamate.
What is the SMILES notation for [(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] carbamate?
The canonical SMILES for [(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] carbamate is NC(=O)O[C@@H](CC1CCCCC1)[C@H](O)[C@@H](O)C1CCCCC1.
What is the InChIKey of [(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] carbamate?
The InChIKey is OCNNVDAXKCURTA-JYJNAYRXSA-N. The full InChI is InChI=1S/C17H31NO4/c18-17(21)22-14(11-12-7-3-1-4-8-12)16(20)15(19)13-9-5-2-6-10-13/h12-16,19-20H,1-11H2,(H2,18,21)/t14-,15-,16-/m0/s1.
What are the key properties of [(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] carbamate?
[(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] carbamate has a molecular weight of 313.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S)-1,4-dicyclohexyl-3,4-dihydroxybutan-2-yl] carbamate is sourced from PubChem (CID 67797435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).