3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid

C11H14N2O3S — CID 114900382

IUPAC3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid
SMILESCC(Cc1cncs1)(C(=O)O)C(=O)NC1CC1
InChIInChI=1S/C11H14N2O3S/c1-11(10(15)16,4-8-5-12-6-17-8)9(14)13-7-2-3-7/h5-7H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyUYNZLRPAQUWNOI-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.06
Rot. Bonds5

About 3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid

3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid (PubChem CID 114900382) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid.

Molecular Properties

Compound Name3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid
PubChem CID114900382
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid
SMILESCC(Cc1cncs1)(C(=O)O)C(=O)NC1CC1
InChIInChI=1S/C11H14N2O3S/c1-11(10(15)16,4-8-5-12-6-17-8)9(14)13-7-2-3-7/h5-7H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyUYNZLRPAQUWNOI-UHFFFAOYSA-N
XLogP1.06
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)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

Related Compounds

2-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-2-methyl-3-oxopropanoic acid
CID 114900410
3-(cyclopropylamino)-2-methyl-3-oxo-2-[(4-propan-2-ylphenyl)methyl]propanoic acid
CID 114900279
2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid
CID 165462219
2-(cyclopropylcarbamoyl)-2-methylpentanoic acid
CID 114900437
1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea
CID 104588445
2-[(4-chloro-3-fluorophenyl)methyl]-3-(cyclopropylamino)-2-methyl-3-oxopropanoic acid
CID 107889838
1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one
CID 116555141
4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide
CID 166339786
2-(cyclopropylcarbamoyl)-4-hydroxy-2,5,5-trimethylhexanoic acid
CID 114265376
2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(cyclopropylamino)-2-methyl-3-oxopropanoic acid
CID 114900380
5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole
CID 112645374
1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642355

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid?
The IUPAC name of 3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid (CID 114900382) is 3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid.
What is the SMILES notation for 3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid?
The canonical SMILES for 3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid is CC(Cc1cncs1)(C(=O)O)C(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid?
The InChIKey is UYNZLRPAQUWNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-11(10(15)16,4-8-5-12-6-17-8)9(14)13-7-2-3-7/h5-7H,2-4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid?
3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid has a molecular weight of 254.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid is sourced from PubChem (CID 114900382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).