1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid

C17H23NO4 — CID 69315148

IUPAC1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid
SMILESCC(OCc1ccccc1)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H23NO4/c1-13(22-12-14-8-4-2-5-9-14)15(19)18-17(16(20)21)10-6-3-7-11-17/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyZBLCDOSERAUCMX-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.50
Rot. Bonds6

About 1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid

1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 69315148) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid
PubChem CID69315148
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid
SMILESCC(OCc1ccccc1)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H23NO4/c1-13(22-12-14-8-4-2-5-9-14)15(19)18-17(16(20)21)10-6-3-7-11-17/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyZBLCDOSERAUCMX-UHFFFAOYSA-N
XLogP2.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide
CID 64868042
methyl 1-[2-[(3-methoxyphenyl)methoxy]propanoylamino]cyclohexane-1-carboxylate
CID 46450947
1-(2-but-3-enoxypropanoylamino)cycloheptane-1-carboxylic acid
CID 120538661
1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid
CID 57306510
1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid
CID 114929079
1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 119113818
1-[(2-benzyl-3-sulfanylpropanoyl)amino]cyclopentane-1-carboxylic acid
CID 15670224
1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 119168113
3-ethoxy-2,2-dimethyl-1-(2-phenylmethoxypropanoylamino)cyclobutane-1-carboxylic acid
CID 120700593
N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide
CID 55649917
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 22327477

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid (CID 69315148) is 1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid is CC(OCc1ccccc1)C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is ZBLCDOSERAUCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-13(22-12-14-8-4-2-5-9-14)15(19)18-17(16(20)21)10-6-3-7-11-17/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid?
1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 69315148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).