3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid

C16H22N2O3 — CID 82758312

IUPAC3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid
SMILESCC1(C(=O)N(CCC(=O)O)c2ccccc2)CCCC1N
InChIInChI=1S/C16H22N2O3/c1-16(10-5-8-13(16)17)15(21)18(11-9-14(19)20)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3,(H,19,20)
InChIKeyWWMRULNCKOVFNU-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.01
Rot. Bonds5

About 3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid

3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid (PubChem CID 82758312) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid.

Molecular Properties

Compound Name3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid
PubChem CID82758312
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid
SMILESCC1(C(=O)N(CCC(=O)O)c2ccccc2)CCCC1N
InChIInChI=1S/C16H22N2O3/c1-16(10-5-8-13(16)17)15(21)18(11-9-14(19)20)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3,(H,19,20)
InChIKeyWWMRULNCKOVFNU-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-(3-hydroxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 107734982
3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 61159722
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 82759479
3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 63046094
2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764290
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582
2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid
CID 82768526
2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 82767340
(2S)-2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 82758703
(2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82824672
2-amino-N-(2-ethylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82765748
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1-methylcyclopentane-1-carboxamide
CID 82763929

Frequently Asked Questions

What is the IUPAC name of 3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid?
The IUPAC name of 3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid (CID 82758312) is 3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid.
What is the SMILES notation for 3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid?
The canonical SMILES for 3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid is CC1(C(=O)N(CCC(=O)O)c2ccccc2)CCCC1N.
What is the InChIKey of 3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid?
The InChIKey is WWMRULNCKOVFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(10-5-8-13(16)17)15(21)18(11-9-14(19)20)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3,(H,19,20).
What are the key properties of 3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid?
3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid is sourced from PubChem (CID 82758312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).