cis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid

C15H19NO4 — CID 23584443

IUPACcis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(N[C@H]1CCC[C@@H](C(=O)O)C1)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(18)12-7-4-8-13(9-12)16-15(19)20-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t12-,13+/m1/s1
InChIKeyLTEORMGXUMWZCU-OLZOCXBDSA-N
MW277.32 g/mol
LogP2.56
Rot. Bonds4

About cis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid

cis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 23584443) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
PubChem CID23584443
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namecis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(N[C@H]1CCC[C@@H](C(=O)O)C1)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(18)12-7-4-8-13(9-12)16-15(19)20-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t12-,13+/m1/s1
InChIKeyLTEORMGXUMWZCU-OLZOCXBDSA-N
XLogP2.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic 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 cis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid (CID 23584443) is cis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid is O=C(N[C@H]1CCC[C@@H](C(=O)O)C1)OCc1ccccc1.
What is the InChIKey of cis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is LTEORMGXUMWZCU-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(18)12-7-4-8-13(9-12)16-15(19)20-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid?
cis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 23584443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).