3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid

C11H17N3O3S — CID 122018657

IUPAC3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
SMILESCc1cnc(C(C)(C)NC(=O)NCCC(=O)O)s1
InChIInChI=1S/C11H17N3O3S/c1-7-6-13-9(18-7)11(2,3)14-10(17)12-5-4-8(15)16/h6H,4-5H2,1-3H3,(H,15,16)(H2,12,14,17)
InChIKeyXLWHKVYWTOFUHL-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.46
Rot. Bonds5

About 3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid

3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid (PubChem CID 122018657) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
PubChem CID122018657
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
SMILESCc1cnc(C(C)(C)NC(=O)NCCC(=O)O)s1
InChIInChI=1S/C11H17N3O3S/c1-7-6-13-9(18-7)11(2,3)14-10(17)12-5-4-8(15)16/h6H,4-5H2,1-3H3,(H,15,16)(H2,12,14,17)
InChIKeyXLWHKVYWTOFUHL-UHFFFAOYSA-N
XLogP1.46
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
CID 75377173
1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
CID 71923805
1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
CID 75377192
methyl 2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetate
CID 75504790
2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride
CID 119870218
5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid
CID 146137005
1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
CID 111861043
2-hydroxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-phenylacetamide
CID 111860346
1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea
CID 75494712
(2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
CID 120645775
2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 166301885
2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide
CID 18155112

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid (CID 122018657) is 3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid is Cc1cnc(C(C)(C)NC(=O)NCCC(=O)O)s1.
What is the InChIKey of 3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid?
The InChIKey is XLWHKVYWTOFUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7-6-13-9(18-7)11(2,3)14-10(17)12-5-4-8(15)16/h6H,4-5H2,1-3H3,(H,15,16)(H2,12,14,17).
What are the key properties of 3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid?
3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid is sourced from PubChem (CID 122018657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).