3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid

C11H14N2O3S — CID 120535785

IUPAC3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
SMILESCc1nscc1C(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C11H14N2O3S/c1-6-8(5-17-13-6)10(14)12-9(11(15)16)4-7-2-3-7/h5,7,9H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyYDJNNAURIJZGQH-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.43
Rot. Bonds5

About 3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid

3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid (PubChem CID 120535785) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
PubChem CID120535785
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
SMILESCc1nscc1C(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C11H14N2O3S/c1-6-8(5-17-13-6)10(14)12-9(11(15)16)4-7-2-3-7/h5,7,9H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyYDJNNAURIJZGQH-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 113354364
3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 136556314
(2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 112734821
(2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid
CID 129467380
2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid
CID 120689553
3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
CID 120535703
3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 97255775
3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid
CID 120689532
(2S)-2-[(3-aminobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 112734855
3-cyclopropyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 120535917
(2S)-3-cyclopropyl-2-[(5-methylsulfonylthiophene-2-carbonyl)amino]propanoic acid
CID 129469494
3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 112734988

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid (CID 120535785) is 3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid is Cc1nscc1C(=O)NC(CC1CC1)C(=O)O.
What is the InChIKey of 3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid?
The InChIKey is YDJNNAURIJZGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-6-8(5-17-13-6)10(14)12-9(11(15)16)4-7-2-3-7/h5,7,9H,2-4H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid?
3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid has a molecular weight of 254.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120535785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).