(2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid

C10H12N2O3S — CID 103791246

IUPAC(2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid
SMILESCc1ncc(/C=C/C(=O)N[C@H](C)C(=O)O)s1
InChIInChI=1S/C10H12N2O3S/c1-6(10(14)15)12-9(13)4-3-8-5-11-7(2)16-8/h3-6H,1-2H3,(H,12,13)(H,14,15)/b4-3+/t6-/m1/s1
InChIKeySYMSVYXXKIVMBN-FCJGRKLLSA-N
MW240.28 g/mol
LogP1.05
Rot. Bonds4

About (2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid

(2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid (PubChem CID 103791246) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is (2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid
PubChem CID103791246
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name(2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid
SMILESCc1ncc(/C=C/C(=O)N[C@H](C)C(=O)O)s1
InChIInChI=1S/C10H12N2O3S/c1-6(10(14)15)12-9(13)4-3-8-5-11-7(2)16-8/h3-6H,1-2H3,(H,12,13)(H,14,15)/b4-3+/t6-/m1/s1
InChIKeySYMSVYXXKIVMBN-FCJGRKLLSA-N
XLogP1.05
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid (CID 103791246) is (2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid is Cc1ncc(/C=C/C(=O)N[C@H](C)C(=O)O)s1.
What is the InChIKey of (2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid?
The InChIKey is SYMSVYXXKIVMBN-FCJGRKLLSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-6(10(14)15)12-9(13)4-3-8-5-11-7(2)16-8/h3-6H,1-2H3,(H,12,13)(H,14,15)/b4-3+/t6-/m1/s1.
What are the key properties of (2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid?
(2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid has a molecular weight of 240.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoyl]amino]propanoic acid is sourced from PubChem (CID 103791246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).