1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C17H23NO3 — CID 43385413

IUPAC1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(CN(C)C(=O)CC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-13-5-7-14(8-6-13)12-18(2)15(19)11-17(16(20)21)9-3-4-10-17/h5-8H,3-4,9-12H2,1-2H3,(H,20,21)
InChIKeyVRVQNQUICRRZOT-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.99
Rot. Bonds5

About 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43385413) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43385413
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(CN(C)C(=O)CC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-13-5-7-14(8-6-13)12-18(2)15(19)11-17(16(20)21)9-3-4-10-17/h5-8H,3-4,9-12H2,1-2H3,(H,20,21)
InChIKeyVRVQNQUICRRZOT-UHFFFAOYSA-N
XLogP2.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43527993
1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60951395
1-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43563437
1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60952628
1-[2-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120551400
1-[methyl-[(4-methylphenyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 62095554
1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43588299
4-[methyl-[(4-methylphenyl)methyl]carbamoyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166815654
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43397053
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
CID 111430281
1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437249

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43385413) is 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is Cc1ccc(CN(C)C(=O)CC2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is VRVQNQUICRRZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13-5-7-14(8-6-13)12-18(2)15(19)11-17(16(20)21)9-3-4-10-17/h5-8H,3-4,9-12H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43385413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).