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

C7H10N2O2S — CID 82602307

IUPAC4-amino-4-(1,3-thiazol-2-yl)butanoic acid
SMILESNC(CCC(=O)O)c1nccs1
InChIInChI=1S/C7H10N2O2S/c8-5(1-2-6(10)11)7-9-3-4-12-7/h3-5H,1-2,8H2,(H,10,11)
InChIKeyQAZSONCCFDZGQO-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.01
Rot. Bonds4

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

4-amino-4-(1,3-thiazol-2-yl)butanoic acid (PubChem CID 82602307) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-amino-4-(1,3-thiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(1,3-thiazol-2-yl)butanoic acid
PubChem CID82602307
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4-amino-4-(1,3-thiazol-2-yl)butanoic acid
SMILESNC(CCC(=O)O)c1nccs1
InChIInChI=1S/C7H10N2O2S/c8-5(1-2-6(10)11)7-9-3-4-12-7/h3-5H,1-2,8H2,(H,10,11)
InChIKeyQAZSONCCFDZGQO-UHFFFAOYSA-N
XLogP1.01
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol
CID 96733513
4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 114127534
(2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid
CID 22823511
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265
4-amino-4-thiophen-2-ylbutanoic acid
CID 21318673
(1R)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
CID 10375649
octanedioic acid;bis(1,3-thiazol-2-amine)
CID 139147698
4-amino-4-(1,3-thiazol-4-yl)butanoic acid
CID 82602298
4-amino-4-pyridin-2-ylbutanoic acid
CID 55292382
2-[carboxymethyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetic acid
CID 65065646
(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride
CID 171338117

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(1,3-thiazol-2-yl)butanoic acid?
The IUPAC name of 4-amino-4-(1,3-thiazol-2-yl)butanoic acid (CID 82602307) is 4-amino-4-(1,3-thiazol-2-yl)butanoic acid.
What is the SMILES notation for 4-amino-4-(1,3-thiazol-2-yl)butanoic acid?
The canonical SMILES for 4-amino-4-(1,3-thiazol-2-yl)butanoic acid is NC(CCC(=O)O)c1nccs1.
What is the InChIKey of 4-amino-4-(1,3-thiazol-2-yl)butanoic acid?
The InChIKey is QAZSONCCFDZGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c8-5(1-2-6(10)11)7-9-3-4-12-7/h3-5H,1-2,8H2,(H,10,11).
What are the key properties of 4-amino-4-(1,3-thiazol-2-yl)butanoic acid?
4-amino-4-(1,3-thiazol-2-yl)butanoic acid has a molecular weight of 186.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(1,3-thiazol-2-yl)butanoic acid is sourced from PubChem (CID 82602307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).