3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid

C11H16N2O2S — CID 62961345

IUPAC3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid
SMILESCCc1csc(N(CCC(=O)O)C2CC2)n1
InChIInChI=1S/C11H16N2O2S/c1-2-8-7-16-11(12-8)13(9-3-4-9)6-5-10(14)15/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyCOCRDYSOHYPHOM-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.15
Rot. Bonds6

About 3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid

3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid (PubChem CID 62961345) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid
PubChem CID62961345
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid
SMILESCCc1csc(N(CCC(=O)O)C2CC2)n1
InChIInChI=1S/C11H16N2O2S/c1-2-8-7-16-11(12-8)13(9-3-4-9)6-5-10(14)15/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyCOCRDYSOHYPHOM-UHFFFAOYSA-N
XLogP2.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102846790
4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
CID 79112132
3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid
CID 61236046
2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576396
2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]acetic acid
CID 79400566
3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
CID 59520233
2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone
CID 62756542
N-cyclopropyl-4-(methylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 78993846
3-[cyclopentyl-[4-[4-(4-methylcyclohexyl)oxyphenyl]-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride
CID 68647790
3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486149
3-[(5-ethylthiophen-2-yl)methyl-[4-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-yl]amino]propanoic acid
CID 68553445
3-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]amino]propanoic acid
CID 106038213

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid (CID 62961345) is 3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid is CCc1csc(N(CCC(=O)O)C2CC2)n1.
What is the InChIKey of 3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid?
The InChIKey is COCRDYSOHYPHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-8-7-16-11(12-8)13(9-3-4-9)6-5-10(14)15/h7,9H,2-6H2,1H3,(H,14,15).
What are the key properties of 3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid?
3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid has a molecular weight of 240.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanoic acid is sourced from PubChem (CID 62961345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).