2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid

C16H21NO4 — CID 18417096

IUPAC2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(COCc1ccccc1)NC1CCCCC1C(=O)O
InChIInChI=1S/C16H21NO4/c18-15(11-21-10-12-6-2-1-3-7-12)17-14-9-5-4-8-13(14)16(19)20/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)(H,19,20)
InChIKeyKXQGVLFTPNXJOM-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.96
Rot. Bonds6

About 2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid

2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 18417096) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
PubChem CID18417096
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(COCc1ccccc1)NC1CCCCC1C(=O)O
InChIInChI=1S/C16H21NO4/c18-15(11-21-10-12-6-2-1-3-7-12)17-14-9-5-4-8-13(14)16(19)20/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)(H,19,20)
InChIKeyKXQGVLFTPNXJOM-UHFFFAOYSA-N
XLogP1.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675538
N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide
CID 55763891
N-cyclopentyloxy-2-phenylmethoxyacetamide
CID 83202202
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-phenylmethoxyacetamide
CID 154565135
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64813756
cis-(1S,2R)-2-(benzylamino)cyclohexane-1-carboxylic acid;hydrochloride
CID 131856617
cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
CID 11921385
N-(2-methylpiperidin-4-yl)-2-phenylmethoxyacetamide
CID 120597809
2-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 64816023
benzyl N-[2-(2-bromoacetyl)cyclohexyl]carbamate
CID 104701403

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid (CID 18417096) is 2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid is O=C(COCc1ccccc1)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is KXQGVLFTPNXJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-15(11-21-10-12-6-2-1-3-7-12)17-14-9-5-4-8-13(14)16(19)20/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid?
2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 18417096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).