[(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid

C14H20N2O3 — CID 69285741

IUPAC[(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid
SMILESN[C@H]1CCC(NC(=O)O)C[C@H]1COc1ccccc1
InChIInChI=1S/C14H20N2O3/c15-13-7-6-11(16-14(17)18)8-10(13)9-19-12-4-2-1-3-5-12/h1-5,10-11,13,16H,6-9,15H2,(H,17,18)/t10-,11?,13-/m0/s1
InChIKeyXENMXOMELPZDKD-BJEKPXQXSA-N
MW264.32 g/mol
LogP1.83
Rot. Bonds4

About [(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid

[(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid (PubChem CID 69285741) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid
PubChem CID69285741
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid
SMILESN[C@H]1CCC(NC(=O)O)C[C@H]1COc1ccccc1
InChIInChI=1S/C14H20N2O3/c15-13-7-6-11(16-14(17)18)8-10(13)9-19-12-4-2-1-3-5-12/h1-5,10-11,13,16H,6-9,15H2,(H,17,18)/t10-,11?,13-/m0/s1
InChIKeyXENMXOMELPZDKD-BJEKPXQXSA-N
XLogP1.83
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid?
The IUPAC name of [(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid (CID 69285741) is [(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid?
The canonical SMILES for [(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid is N[C@H]1CCC(NC(=O)O)C[C@H]1COc1ccccc1.
What is the InChIKey of [(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid?
The InChIKey is XENMXOMELPZDKD-BJEKPXQXSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-13-7-6-11(16-14(17)18)8-10(13)9-19-12-4-2-1-3-5-12/h1-5,10-11,13,16H,6-9,15H2,(H,17,18)/t10-,11?,13-/m0/s1.
What are the key properties of [(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid?
[(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid has a molecular weight of 264.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-amino-3-(phenoxymethyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 69285741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).