4-amino-3-(3-cyclopropylphenyl)butanoic acid

C13H17NO2 — CID 79978164

IUPAC4-amino-3-(3-cyclopropylphenyl)butanoic acid
SMILESNCC(CC(=O)O)c1cccc(C2CC2)c1
InChIInChI=1S/C13H17NO2/c14-8-12(7-13(15)16)11-3-1-2-10(6-11)9-4-5-9/h1-3,6,9,12H,4-5,7-8,14H2,(H,15,16)
InChIKeyMVNUKVAFRIAAKT-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.08
Rot. Bonds5

About 4-amino-3-(3-cyclopropylphenyl)butanoic acid

4-amino-3-(3-cyclopropylphenyl)butanoic acid (PubChem CID 79978164) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-amino-3-(3-cyclopropylphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(3-cyclopropylphenyl)butanoic acid
PubChem CID79978164
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-amino-3-(3-cyclopropylphenyl)butanoic acid
SMILESNCC(CC(=O)O)c1cccc(C2CC2)c1
InChIInChI=1S/C13H17NO2/c14-8-12(7-13(15)16)11-3-1-2-10(6-11)9-4-5-9/h1-3,6,9,12H,4-5,7-8,14H2,(H,15,16)
InChIKeyMVNUKVAFRIAAKT-UHFFFAOYSA-N
XLogP2.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(3-cyclobutylphenyl)propanoic acid
CID 83837155
3-amino-3-[3-(thian-4-yl)phenyl]propanoic acid
CID 117417985
(3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid
CID 79984518
3-amino-2-[3-(oxan-4-yl)phenyl]propanoic acid
CID 117376394
(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride
CID 170919041
2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine
CID 116988906
4-amino-4-(3-cyclopentylphenyl)butanoic acid
CID 117371345
1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine
CID 79984483
1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658329
3-cyclopropyl-3-[3-(1-methylazetidin-3-yl)phenyl]propanoic acid
CID 117402253
2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid
CID 117374049
methyl 2-chloro-2-(3-cyclopropylphenyl)acetate
CID 79979811

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-cyclopropylphenyl)butanoic acid?
The IUPAC name of 4-amino-3-(3-cyclopropylphenyl)butanoic acid (CID 79978164) is 4-amino-3-(3-cyclopropylphenyl)butanoic acid.
What is the SMILES notation for 4-amino-3-(3-cyclopropylphenyl)butanoic acid?
The canonical SMILES for 4-amino-3-(3-cyclopropylphenyl)butanoic acid is NCC(CC(=O)O)c1cccc(C2CC2)c1.
What is the InChIKey of 4-amino-3-(3-cyclopropylphenyl)butanoic acid?
The InChIKey is MVNUKVAFRIAAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c14-8-12(7-13(15)16)11-3-1-2-10(6-11)9-4-5-9/h1-3,6,9,12H,4-5,7-8,14H2,(H,15,16).
What are the key properties of 4-amino-3-(3-cyclopropylphenyl)butanoic acid?
4-amino-3-(3-cyclopropylphenyl)butanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-cyclopropylphenyl)butanoic acid is sourced from PubChem (CID 79978164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).