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

C13H17NO2 — CID 106490812

IUPAC3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C(CN)(C(=O)O)C2CC2)c1
InChIInChI=1S/C13H17NO2/c1-9-3-2-4-11(7-9)13(8-14,12(15)16)10-5-6-10/h2-4,7,10H,5-6,8,14H2,1H3,(H,15,16)
InChIKeyXJWLQEDOYPIBGP-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.69
Rot. Bonds4

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

3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid (PubChem CID 106490812) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid
PubChem CID106490812
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C(CN)(C(=O)O)C2CC2)c1
InChIInChI=1S/C13H17NO2/c1-9-3-2-4-11(7-9)13(8-14,12(15)16)10-5-6-10/h2-4,7,10H,5-6,8,14H2,1H3,(H,15,16)
InChIKeyXJWLQEDOYPIBGP-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-(4-methylphenyl)propanoic acid
CID 106509266
methyl 3-amino-2-cyclopropyl-2-(3-fluorophenyl)propanoate
CID 106509500
3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid
CID 106490917
(1S)-1-cyclopropyl-1-(3-methylphenyl)ethanol
CID 93311992
methyl 3-amino-2-cyclobutyl-2-phenylpropanoate
CID 106489211
2-(aminomethyl)-3-methoxy-2-(3-methylphenyl)propanoic acid
CID 106490721
2-amino-2-(3-methylphenyl)butanoic acid
CID 83698226
2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid
CID 114989635
2-(aminomethyl)-4-hydroxy-2-(3-methylphenyl)pentanoic acid
CID 106490768
2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol
CID 106507357
2-(aminomethyl)-6-methyl-2-(3-methylphenyl)heptanoic acid
CID 106490782
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid?
The IUPAC name of 3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid (CID 106490812) is 3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid?
The canonical SMILES for 3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid is Cc1cccc(C(CN)(C(=O)O)C2CC2)c1.
What is the InChIKey of 3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid?
The InChIKey is XJWLQEDOYPIBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-3-2-4-11(7-9)13(8-14,12(15)16)10-5-6-10/h2-4,7,10H,5-6,8,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid?
3-amino-2-cyclopropyl-2-(3-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-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 106490812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).