3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid

C15H20N2O3 — CID 103869698

IUPAC3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(N)C(=O)NC2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O3/c1-9-2-4-10(5-3-9)13(16)14(18)17-12-7-6-11(8-12)15(19)20/h2-5,11-13H,6-8,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyCMSISNGAEJHARL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.36
Rot. Bonds4

About 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid

3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 103869698) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID103869698
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(N)C(=O)NC2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O3/c1-9-2-4-10(5-3-9)13(16)14(18)17-12-7-6-11(8-12)15(19)20/h2-5,11-13H,6-8,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyCMSISNGAEJHARL-UHFFFAOYSA-N
XLogP1.36
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-methylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668364
2-amino-N-(3-methylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667211
2-amino-2-(4-methylphenyl)-N-(4-methylsulfanylcyclohexyl)acetamide
CID 106312954
2-amino-2-(4-methylphenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120669904
2-amino-N-(4,4-dimethylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668551
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 106151639
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 120666920
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669508
cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120690493
(2R)-2-amino-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 61156405
2-amino-N-(1,1-dioxothian-3-yl)-2-(4-methylphenyl)acetamide
CID 106151502

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 103869698) is 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid is Cc1ccc(C(N)C(=O)NC2CCC(C(=O)O)C2)cc1.
What is the InChIKey of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is CMSISNGAEJHARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-2-4-10(5-3-9)13(16)14(18)17-12-7-6-11(8-12)15(19)20/h2-5,11-13H,6-8,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid?
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103869698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).