2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid

C8H10N2O3S — CID 15018091

IUPAC2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid
SMILESCC(=O)NC(Cc1cscn1)C(=O)O
InChIInChI=1S/C8H10N2O3S/c1-5(11)10-7(8(12)13)2-6-3-14-4-9-6/h3-4,7H,2H2,1H3,(H,10,11)(H,12,13)
InChIKeyILHYKYSUZWFTFP-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.27
Rot. Bonds4

About 2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid

2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid (PubChem CID 15018091) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid
PubChem CID15018091
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid
SMILESCC(=O)NC(Cc1cscn1)C(=O)O
InChIInChI=1S/C8H10N2O3S/c1-5(11)10-7(8(12)13)2-6-3-14-4-9-6/h3-4,7H,2H2,1H3,(H,10,11)(H,12,13)
InChIKeyILHYKYSUZWFTFP-UHFFFAOYSA-N
XLogP0.27
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid
CID 7020917
5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid
CID 129303324
(2R)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 69472054
2-methyl-1-(1,3-thiazol-4-yl)pentan-3-one
CID 76657349
(3S)-3-[[(2S)-2-methyl-3-(1,3-thiazol-4-yl)propyl]amino]butan-2-one
CID 143406082
(2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid
CID 98008916
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoate;hydrochloride
CID 156702107
4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 104681033
2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid
CID 68809495
methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
CID 70073965
(2S)-2-[[(2S)-2-acetamido-3-(1,3-thiazol-4-yl)propanoyl]amino]-N-benzyl-6-imino-5-oxohexanamide
CID 167000778
(2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid
CID 98583925

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid (CID 15018091) is 2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid is CC(=O)NC(Cc1cscn1)C(=O)O.
What is the InChIKey of 2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid?
The InChIKey is ILHYKYSUZWFTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-5(11)10-7(8(12)13)2-6-3-14-4-9-6/h3-4,7H,2H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid?
2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid has a molecular weight of 214.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid is sourced from PubChem (CID 15018091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).