2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid

C10H16N2O2S — CID 64990979

IUPAC2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid
SMILESCC(C)CNC(C)(C(=O)O)c1nccs1
InChIInChI=1S/C10H16N2O2S/c1-7(2)6-12-10(3,9(13)14)8-11-4-5-15-8/h4-5,7,12H,6H2,1-3H3,(H,13,14)
InChIKeyZNWBDJUQULBFLQ-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.69
Rot. Bonds5

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

2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 64990979) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid
PubChem CID64990979
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid
SMILESCC(C)CNC(C)(C(=O)O)c1nccs1
InChIInChI=1S/C10H16N2O2S/c1-7(2)6-12-10(3,9(13)14)8-11-4-5-15-8/h4-5,7,12H,6H2,1-3H3,(H,13,14)
InChIKeyZNWBDJUQULBFLQ-UHFFFAOYSA-N
XLogP1.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64990980
2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990854
2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 64991037
2-(2-methylpropylamino)-2-pyridin-2-ylpropanoic acid
CID 61001676
(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
CID 66644727
2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid
CID 61001677
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087
2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 78969560
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64990575
methyl 3-amino-3-(1,3-thiazol-2-yl)butanoate
CID 79848838
2-methyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 114131819

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid (CID 64990979) is 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid is CC(C)CNC(C)(C(=O)O)c1nccs1.
What is the InChIKey of 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is ZNWBDJUQULBFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(2)6-12-10(3,9(13)14)8-11-4-5-15-8/h4-5,7,12H,6H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid?
2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 228.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 64990979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).