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

C17H23NO4 — CID 120540070

IUPAC1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)COCc1ccccc1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C17H23NO4/c1-18(17(16(20)21)10-6-3-7-11-17)15(19)13-22-12-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,20,21)
InChIKeyAYNCLARUBLRASA-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.45
Rot. Bonds6

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

1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120540070) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120540070
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)COCc1ccccc1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C17H23NO4/c1-18(17(16(20)21)10-6-3-7-11-17)15(19)13-22-12-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,20,21)
InChIKeyAYNCLARUBLRASA-UHFFFAOYSA-N
XLogP2.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(4-hydroxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540141
1-[[2-(4-fluorophenoxy)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540025
1-[methyl-(2-phenacylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120539343
1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 120539458
1-[[2-(3,4-difluorophenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539989
1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120690006
1-[(2-iodobenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539755
benzyl 1-[2-(dimethylamino)-2-oxoethyl]cyclohexane-1-carboxylate
CID 146950043
1-(N-methylanilino)cyclopentane-1-carboxylic acid
CID 114988662
1-[methyl-[3-(3,4,5-trimethoxyphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539528
1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid
CID 71416986
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylacetamide
CID 119552002

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid (CID 120540070) is 1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid is CN(C(=O)COCc1ccccc1)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is AYNCLARUBLRASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-18(17(16(20)21)10-6-3-7-11-17)15(19)13-22-12-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,20,21).
What are the key properties of 1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid?
1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120540070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).