1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid

C15H19NO5 — CID 165465604

IUPAC1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1(O)C(=O)O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c17-13(18)15(20)9-5-4-8-12(15)16-14(19)21-10-11-6-2-1-3-7-11/h1-3,6-7,12,20H,4-5,8-10H2,(H,16,19)(H,17,18)
InChIKeyIVSKGECNCWRJHE-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.67
Rot. Bonds4

About 1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid

1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 165465604) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
PubChem CID165465604
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1(O)C(=O)O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c17-13(18)15(20)9-5-4-8-12(15)16-14(19)21-10-11-6-2-1-3-7-11/h1-3,6-7,12,20H,4-5,8-10H2,(H,16,19)(H,17,18)
InChIKeyIVSKGECNCWRJHE-UHFFFAOYSA-N
XLogP1.67
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
(1S,2R,4R)-4-hydroxy-1-methyl-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 118663296
benzyl N-[(1R,2R,5R)-2-[(chloroamino)methyl]-2-hydroxy-5-methylcyclohexyl]carbamate
CID 153296021
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate
CID 103393492
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
CID 130138434
benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate
CID 134282830
benzyl N-[(1S,6S)-6-hydroxy-6-methylcyclohex-3-en-1-yl]carbamate
CID 10956332

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid (CID 165465604) is 1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1CCCCC1(O)C(=O)O)OCc1ccccc1.
What is the InChIKey of 1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is IVSKGECNCWRJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-13(18)15(20)9-5-4-8-12(15)16-14(19)21-10-11-6-2-1-3-7-11/h1-3,6-7,12,20H,4-5,8-10H2,(H,16,19)(H,17,18).
What are the key properties of 1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid?
1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 165465604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).