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

C10H16N2O2S — CID 60828365

IUPAC4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)c1nccs1
InChIInChI=1S/C10H16N2O2S/c1-8(2)12(6-3-4-9(13)14)10-11-5-7-15-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyUWUZBVWAUWDRKQ-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.22
Rot. Bonds6

About 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid

4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid (PubChem CID 60828365) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid
PubChem CID60828365
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)c1nccs1
InChIInChI=1S/C10H16N2O2S/c1-8(2)12(6-3-4-9(13)14)10-11-5-7-15-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyUWUZBVWAUWDRKQ-UHFFFAOYSA-N
XLogP2.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol
CID 61146701
3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 82310239
4-[(4-methyl-1,3-thiazol-2-yl)-propan-2-ylamino]butanoic acid
CID 60828366
4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]amino]butanoic acid
CID 63241082
2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid
CID 83835505
2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62638118
octanedioic acid;bis(1,3-thiazol-2-amine)
CID 139147698
3-[(4-methylphenyl)methyl-(1,3-thiazol-2-yl)amino]propanoic acid
CID 82309727
2-methyl-3-[1-phenylethyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 82309949
2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid
CID 107424767
4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid
CID 60839856
4-[2,1-benzothiazol-3-yl(propan-2-yl)amino]butanoic acid
CID 66353793

Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid?
The IUPAC name of 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid (CID 60828365) is 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid is CC(C)N(CCCC(=O)O)c1nccs1.
What is the InChIKey of 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid?
The InChIKey is UWUZBVWAUWDRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(2)12(6-3-4-9(13)14)10-11-5-7-15-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid?
4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid has a molecular weight of 228.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid is sourced from PubChem (CID 60828365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).