[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid

C11H22N2O3 — CID 66861683

IUPAC[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid
SMILESNC[C@H](O)[C@H](CC1CCCCC1)NC(=O)O
InChIInChI=1S/C11H22N2O3/c12-7-10(14)9(13-11(15)16)6-8-4-2-1-3-5-8/h8-10,13-14H,1-7,12H2,(H,15,16)/t9-,10-/m0/s1
InChIKeyOETHIMLQOSBUCO-UWVGGRQHSA-N
MW230.31 g/mol
LogP0.91
Rot. Bonds5

About [(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid

[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid (PubChem CID 66861683) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is [(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid
PubChem CID66861683
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid
SMILESNC[C@H](O)[C@H](CC1CCCCC1)NC(=O)O
InChIInChI=1S/C11H22N2O3/c12-7-10(14)9(13-11(15)16)6-8-4-2-1-3-5-8/h8-10,13-14H,1-7,12H2,(H,15,16)/t9-,10-/m0/s1
InChIKeyOETHIMLQOSBUCO-UWVGGRQHSA-N
XLogP0.91
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid 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,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid?
The IUPAC name of [(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid (CID 66861683) is [(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid?
The canonical SMILES for [(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid is NC[C@H](O)[C@H](CC1CCCCC1)NC(=O)O.
What is the InChIKey of [(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid?
The InChIKey is OETHIMLQOSBUCO-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H22N2O3/c12-7-10(14)9(13-11(15)16)6-8-4-2-1-3-5-8/h8-10,13-14H,1-7,12H2,(H,15,16)/t9-,10-/m0/s1.
What are the key properties of [(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid?
[(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid has a molecular weight of 230.31 g/mol, XLogP of 0.91, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-4-amino-1-cyclohexyl-3-hydroxybutan-2-yl]carbamic acid is sourced from PubChem (CID 66861683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).