[(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid

C12H24N2O3 — CID 22849820

IUPAC[(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid
SMILESN[C@@H](CCC1CCCCC1)[C@@H](O)CNC(=O)O
InChIInChI=1S/C12H24N2O3/c13-10(11(15)8-14-12(16)17)7-6-9-4-2-1-3-5-9/h9-11,14-15H,1-8,13H2,(H,16,17)/t10-,11-/m0/s1
InChIKeyMLEILNVSUFOZOG-QWRGUYRKSA-N
MW244.33 g/mol
LogP1.30
Rot. Bonds6

About [(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid

[(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid (PubChem CID 22849820) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is [(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid.

Molecular Properties

Compound Name[(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid
PubChem CID22849820
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name[(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid
SMILESN[C@@H](CCC1CCCCC1)[C@@H](O)CNC(=O)O
InChIInChI=1S/C12H24N2O3/c13-10(11(15)8-14-12(16)17)7-6-9-4-2-1-3-5-9/h9-11,14-15H,1-8,13H2,(H,16,17)/t10-,11-/m0/s1
InChIKeyMLEILNVSUFOZOG-QWRGUYRKSA-N
XLogP1.30
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid?
The IUPAC name of [(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid (CID 22849820) is [(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid.
What is the SMILES notation for [(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid?
The canonical SMILES for [(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid is N[C@@H](CCC1CCCCC1)[C@@H](O)CNC(=O)O.
What is the InChIKey of [(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid?
The InChIKey is MLEILNVSUFOZOG-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24N2O3/c13-10(11(15)8-14-12(16)17)7-6-9-4-2-1-3-5-9/h9-11,14-15H,1-8,13H2,(H,16,17)/t10-,11-/m0/s1.
What are the key properties of [(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid?
[(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid has a molecular weight of 244.33 g/mol, XLogP of 1.30, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-amino-5-cyclohexyl-2-hydroxypentyl]carbamic acid is sourced from PubChem (CID 22849820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).