3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid

C13H17NO2 — CID 106509266

IUPAC3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(CN)(C(=O)O)C2CC2)cc1
InChIInChI=1S/C13H17NO2/c1-9-2-4-10(5-3-9)13(8-14,12(15)16)11-6-7-11/h2-5,11H,6-8,14H2,1H3,(H,15,16)
InChIKeyWBQGMQDZABPGIF-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.69
Rot. Bonds4

About 3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid

3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid (PubChem CID 106509266) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid
PubChem CID106509266
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(CN)(C(=O)O)C2CC2)cc1
InChIInChI=1S/C13H17NO2/c1-9-2-4-10(5-3-9)13(8-14,12(15)16)11-6-7-11/h2-5,11H,6-8,14H2,1H3,(H,15,16)
InChIKeyWBQGMQDZABPGIF-UHFFFAOYSA-N
XLogP1.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid
CID 106490812
3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid
CID 106490917
2-cyclopentyl-2-(4-methylphenyl)hexanoic acid
CID 123343946
2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid
CID 5151318
methyl 3-amino-2-cyclobutyl-2-phenylpropanoate
CID 106489211
2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid
CID 106509245
2-(aminomethyl)-4,4-difluoro-2-(4-methylphenyl)butanoic acid
CID 106509226
(2R)-2-amino-2-(4-methylphenyl)butanoic acid
CID 7046915
2-cyclopropyl-2-hydroxy-2-(4-methylphenyl)acetaldehyde
CID 87692062
methyl 3-amino-2-cyclopropyl-2-(3-fluorophenyl)propanoate
CID 106509500
2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid
CID 60998424
2-methyl-2-(4-methylphenyl)propanedioic acid
CID 67424515

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid?
The IUPAC name of 3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid (CID 106509266) is 3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid?
The canonical SMILES for 3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid is Cc1ccc(C(CN)(C(=O)O)C2CC2)cc1.
What is the InChIKey of 3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid?
The InChIKey is WBQGMQDZABPGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-2-4-10(5-3-9)13(8-14,12(15)16)11-6-7-11/h2-5,11H,6-8,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid?
3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid has a molecular weight of 219.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopropyl-2-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 106509266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).