2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid

C9H14N2O2S — CID 64990854

IUPAC2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid
SMILESCC(C)NC(C)(C(=O)O)c1nccs1
InChIInChI=1S/C9H14N2O2S/c1-6(2)11-9(3,8(12)13)7-10-4-5-14-7/h4-6,11H,1-3H3,(H,12,13)
InChIKeyICISZQDPPKWSDD-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.44
Rot. Bonds4

About 2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid

2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 64990854) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid
PubChem CID64990854
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid
SMILESCC(C)NC(C)(C(=O)O)c1nccs1
InChIInChI=1S/C9H14N2O2S/c1-6(2)11-9(3,8(12)13)7-10-4-5-14-7/h4-6,11H,1-3H3,(H,12,13)
InChIKeyICISZQDPPKWSDD-UHFFFAOYSA-N
XLogP1.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990979
(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
CID 66644727
methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64990980
2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 64991037
2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide
CID 103718140
methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991150
methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087
2-[formyl(propan-2-yl)amino]-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990809
methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991251
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid
CID 64990931

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid (CID 64990854) is 2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid is CC(C)NC(C)(C(=O)O)c1nccs1.
What is the InChIKey of 2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is ICISZQDPPKWSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(2)11-9(3,8(12)13)7-10-4-5-14-7/h4-6,11H,1-3H3,(H,12,13).
What are the key properties of 2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid?
2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 214.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 64990854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).