2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid

C13H17NO3S — CID 119202682

IUPAC2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid
SMILESCC(C(=O)N(C1CC1)C(C)C(=O)O)c1ccsc1
InChIInChI=1S/C13H17NO3S/c1-8(10-5-6-18-7-10)12(15)14(11-3-4-11)9(2)13(16)17/h5-9,11H,3-4H2,1-2H3,(H,16,17)
InChIKeyYGTZYGCAIIQZDU-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.32
Rot. Bonds5

About 2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid

2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid (PubChem CID 119202682) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid
PubChem CID119202682
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid
SMILESCC(C(=O)N(C1CC1)C(C)C(=O)O)c1ccsc1
InChIInChI=1S/C13H17NO3S/c1-8(10-5-6-18-7-10)12(15)14(11-3-4-11)9(2)13(16)17/h5-9,11H,3-4H2,1-2H3,(H,16,17)
InChIKeyYGTZYGCAIIQZDU-UHFFFAOYSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid (CID 119202682) is 2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid is CC(C(=O)N(C1CC1)C(C)C(=O)O)c1ccsc1.
What is the InChIKey of 2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid?
The InChIKey is YGTZYGCAIIQZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-8(10-5-6-18-7-10)12(15)14(11-3-4-11)9(2)13(16)17/h5-9,11H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid?
2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid has a molecular weight of 267.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 119202682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).