tert-butyl N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate

C15H30N2O3 — CID 14179444

IUPACtert-butyl N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CN
InChIInChI=1S/C15H30N2O3/c1-15(2,3)20-14(19)17-12(13(18)10-16)9-11-7-5-4-6-8-11/h11-13,18H,4-10,16H2,1-3H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyXXUVDNPAXLCYLL-STQMWFEESA-N
MW286.42 g/mol
LogP2.17
Rot. Bonds5

About tert-butyl N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate

tert-butyl N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate (PubChem CID 14179444) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate
PubChem CID14179444
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CN
InChIInChI=1S/C15H30N2O3/c1-15(2,3)20-14(19)17-12(13(18)10-16)9-11-7-5-4-6-8-11/h11-13,18H,4-10,16H2,1-3H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyXXUVDNPAXLCYLL-STQMWFEESA-N
XLogP2.17
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-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,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate (CID 14179444) is tert-butyl N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CN.
What is the InChIKey of tert-butyl N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate?
The InChIKey is XXUVDNPAXLCYLL-STQMWFEESA-N. The full InChI is InChI=1S/C15H30N2O3/c1-15(2,3)20-14(19)17-12(13(18)10-16)9-11-7-5-4-6-8-11/h11-13,18H,4-10,16H2,1-3H3,(H,17,19)/t12-,13-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate?
tert-butyl N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 14179444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).