2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid

C14H19NO2S — CID 122083006

IUPAC2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CCSc1ccccc1)C1CC1
InChIInChI=1S/C14H19NO2S/c1-11(14(16)17)15(12-7-8-12)9-10-18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,17)
InChIKeyZMASWZPDWUUQSK-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.72
Rot. Bonds7

About 2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid

2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid (PubChem CID 122083006) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid
PubChem CID122083006
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CCSc1ccccc1)C1CC1
InChIInChI=1S/C14H19NO2S/c1-11(14(16)17)15(12-7-8-12)9-10-18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,17)
InChIKeyZMASWZPDWUUQSK-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[cyclopropyl(propyl)amino]propanoic acid
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2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid
CID 122083066
2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid
CID 119134911
ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate
CID 62025910
2-[[3-(benzylcarbamoylamino)-3-oxopropyl]-cyclopropylamino]propanoic acid
CID 122100535
2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 122100872
2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid
CID 78974311
N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine
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2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid
CID 122083076

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid (CID 122083006) is 2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid is CC(C(=O)O)N(CCSc1ccccc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid?
The InChIKey is ZMASWZPDWUUQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-11(14(16)17)15(12-7-8-12)9-10-18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid?
2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid has a molecular weight of 265.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid is sourced from PubChem (CID 122083006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).