1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid

C16H22N2O3 — CID 91834717

IUPAC1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(C)c1ccc(CC(=O)NC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-18(2)13-7-5-12(6-8-13)11-14(19)17-16(15(20)21)9-3-4-10-16/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyPIFPMGCDCPIPMB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.81
Rot. Bonds5

About 1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 91834717) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID91834717
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(C)c1ccc(CC(=O)NC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-18(2)13-7-5-12(6-8-13)11-14(19)17-16(15(20)21)9-3-4-10-16/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyPIFPMGCDCPIPMB-UHFFFAOYSA-N
XLogP1.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176767
1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572
1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176363
1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329516
1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43132383
1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81164008
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
1-[[2-(3-ethylsulfonylphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120531000
1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163856
1-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120666403
1-[[2-(4-chloro-3-fluorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 166235429
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid (CID 91834717) is 1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid is CN(C)c1ccc(CC(=O)NC2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is PIFPMGCDCPIPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(2)13-7-5-12(6-8-13)11-14(19)17-16(15(20)21)9-3-4-10-16/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 91834717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).