2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid

C12H15NO2S — CID 117347501

IUPAC2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid
SMILESNC(Cc1ccc(SC2CC2)cc1)C(=O)O
InChIInChI=1S/C12H15NO2S/c13-11(12(14)15)7-8-1-3-9(4-2-8)16-10-5-6-10/h1-4,10-11H,5-7,13H2,(H,14,15)
InChIKeyCQGZIOBDILQLKN-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.90
Rot. Bonds5

About 2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid

2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid (PubChem CID 117347501) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid
PubChem CID117347501
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid
SMILESNC(Cc1ccc(SC2CC2)cc1)C(=O)O
InChIInChI=1S/C12H15NO2S/c13-11(12(14)15)7-8-1-3-9(4-2-8)16-10-5-6-10/h1-4,10-11H,5-7,13H2,(H,14,15)
InChIKeyCQGZIOBDILQLKN-UHFFFAOYSA-N
XLogP1.90
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropylsulfanylphenyl)propan-2-amine
CID 117296861
(2S)-2-amino-3-(4-cyclopentylphenyl)propanoic acid
CID 68534657
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
2-amino-3-(4-arsanylphenyl)propanoic acid
CID 173173215
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
L-Tyrosine (disodium)
CID 66602062

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid (CID 117347501) is 2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid is NC(Cc1ccc(SC2CC2)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid?
The InChIKey is CQGZIOBDILQLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c13-11(12(14)15)7-8-1-3-9(4-2-8)16-10-5-6-10/h1-4,10-11H,5-7,13H2,(H,14,15).
What are the key properties of 2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid?
2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid has a molecular weight of 237.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-cyclopropylsulfanylphenyl)propanoic acid is sourced from PubChem (CID 117347501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).