2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid

C16H22N2O3 — CID 103868808

IUPAC2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid
SMILESCc1ccc(C(N)C(=O)N(CC(=O)O)C2CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11-6-8-12(9-7-11)15(17)16(21)18(10-14(19)20)13-4-2-3-5-13/h6-9,13,15H,2-5,10,17H2,1H3,(H,19,20)
InChIKeyACMNOJGFCMYMEA-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.85
Rot. Bonds5

About 2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid

2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid (PubChem CID 103868808) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid
PubChem CID103868808
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid
SMILESCc1ccc(C(N)C(=O)N(CC(=O)O)C2CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11-6-8-12(9-7-11)15(17)16(21)18(10-14(19)20)13-4-2-3-5-13/h6-9,13,15H,2-5,10,17H2,1H3,(H,19,20)
InChIKeyACMNOJGFCMYMEA-UHFFFAOYSA-N
XLogP1.85
TPSA83.63 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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclopentyl-2-(4-methylphenyl)-N-prop-2-enylacetamide
CID 106312192
2-amino-N-cyclopentyl-N-methyl-2-(4-methylphenyl)acetamide
CID 106151212
2-amino-N-cyclopropyl-N-(2-methoxyethyl)-2-(4-methylphenyl)acetamide
CID 106312189
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081
2-[[(2R)-2-aminopropanoyl]-cyclopentylamino]acetic acid
CID 78973399
2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid
CID 13089672
2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid
CID 79012295
2-amino-N-cyclopentyl-N-methyl-2-phenylacetamide
CID 43267220
2-amino-N-(4,4-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106312536
2-amino-N-(4-ethylcyclohexyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106312221
2-(N-cyclobutyl-4-methylanilino)acetic acid
CID 65059457
(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
CID 102861821

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid?
The IUPAC name of 2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid (CID 103868808) is 2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid is Cc1ccc(C(N)C(=O)N(CC(=O)O)C2CCCC2)cc1.
What is the InChIKey of 2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid?
The InChIKey is ACMNOJGFCMYMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-6-8-12(9-7-11)15(17)16(21)18(10-14(19)20)13-4-2-3-5-13/h6-9,13,15H,2-5,10,17H2,1H3,(H,19,20).
What are the key properties of 2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid?
2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-2-(4-methylphenyl)acetyl]-cyclopentylamino]acetic acid is sourced from PubChem (CID 103868808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).