2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid

C9H14N2O2S — CID 83835505

IUPAC2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid
SMILESCC(C)N(c1nccs1)C(C)C(=O)O
InChIInChI=1S/C9H14N2O2S/c1-6(2)11(7(3)8(12)13)9-10-4-5-14-9/h4-7H,1-3H3,(H,12,13)
InChIKeyRPRIGMBVOWALNC-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.83
Rot. Bonds4

About 2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid

2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid (PubChem CID 83835505) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid
PubChem CID83835505
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid
SMILESCC(C)N(c1nccs1)C(C)C(=O)O
InChIInChI=1S/C9H14N2O2S/c1-6(2)11(7(3)8(12)13)9-10-4-5-14-9/h4-7H,1-3H3,(H,12,13)
InChIKeyRPRIGMBVOWALNC-UHFFFAOYSA-N
XLogP1.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62638118
3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid
CID 62854028
4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid
CID 60828365
2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid
CID 62625896
3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 82310239
N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
CID 119090287
2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62818927
2-methyl-3-[1-phenylethyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 82309949
3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol
CID 61146701
2-hydroxy-3-methyl-N-[1-oxo-1-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-2-yl]butanamide
CID 91110101
2-[methyl(1,3-thiazol-2-yl)amino]-4-nitrososulfanylbutanoic acid
CID 75047702
N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 51108485

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid?
The IUPAC name of 2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid (CID 83835505) is 2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid is CC(C)N(c1nccs1)C(C)C(=O)O.
What is the InChIKey of 2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid?
The InChIKey is RPRIGMBVOWALNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(2)11(7(3)8(12)13)9-10-4-5-14-9/h4-7H,1-3H3,(H,12,13).
What are the key properties of 2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid?
2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid has a molecular weight of 214.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid is sourced from PubChem (CID 83835505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).