(2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid

C13H17NO3S — CID 164635251

IUPAC(2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid
SMILESCc1cc(C)c(C(=O)N[C@@H](CC2CC2)C(=O)O)s1
InChIInChI=1S/C13H17NO3S/c1-7-5-8(2)18-11(7)12(15)14-10(13(16)17)6-9-3-4-9/h5,9-10H,3-4,6H2,1-2H3,(H,14,15)(H,16,17)/t10-/m0/s1
InChIKeyMHURRHHDDWRUAV-JTQLQIEISA-N
MW267.35 g/mol
LogP2.35
Rot. Bonds5

About (2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid

(2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid (PubChem CID 164635251) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid
PubChem CID164635251
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid
SMILESCc1cc(C)c(C(=O)N[C@@H](CC2CC2)C(=O)O)s1
InChIInChI=1S/C13H17NO3S/c1-7-5-8(2)18-11(7)12(15)14-10(13(16)17)6-9-3-4-9/h5,9-10H,3-4,6H2,1-2H3,(H,14,15)(H,16,17)/t10-/m0/s1
InChIKeyMHURRHHDDWRUAV-JTQLQIEISA-N
XLogP2.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid (CID 164635251) is (2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid is Cc1cc(C)c(C(=O)N[C@@H](CC2CC2)C(=O)O)s1.
What is the InChIKey of (2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is MHURRHHDDWRUAV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17NO3S/c1-7-5-8(2)18-11(7)12(15)14-10(13(16)17)6-9-3-4-9/h5,9-10H,3-4,6H2,1-2H3,(H,14,15)(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid?
(2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 267.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-[(3,5-dimethylthiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 164635251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).