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

C8H12N2O2S — CID 104681033

IUPAC4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid
SMILESNCCC(Cc1cscn1)C(=O)O
InChIInChI=1S/C8H12N2O2S/c9-2-1-6(8(11)12)3-7-4-13-5-10-7/h4-6H,1-3,9H2,(H,11,12)
InChIKeyIZYLPIZDIVVPCC-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.74
Rot. Bonds5

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

4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid (PubChem CID 104681033) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid
PubChem CID104681033
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid
SMILESNCCC(Cc1cscn1)C(=O)O
InChIInChI=1S/C8H12N2O2S/c9-2-1-6(8(11)12)3-7-4-13-5-10-7/h4-6H,1-3,9H2,(H,11,12)
InChIKeyIZYLPIZDIVVPCC-UHFFFAOYSA-N
XLogP0.74
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-hydroxypropanoic acid;2-amino-3-(1,3-thiazol-4-yl)propanoic acid
CID 68809495
(2R)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 69472054
2-acetamido-3-(1,3-thiazol-4-yl)propanoic acid
CID 15018091
4-amino-2-benzylbutanoic acid
CID 16679765
2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one
CID 155459923
methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
CID 70073965
2-methyl-1-(1,3-thiazol-4-yl)pentan-3-one
CID 76657349
4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
CID 104680894
5-[[1-carboxy-2-(1,3-thiazol-4-yl)ethyl]amino]-5-oxopentanoic acid
CID 129303324
2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 106488537
(2R,4S,5S)-5-amino-4-hydroxy-2-(3-methylbutyl)-6-(1,3-thiazol-4-yl)hexanamide
CID 68899703
2-(2-aminoethyl)-4-hydroxypentanoic acid
CID 104680935

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid?
The IUPAC name of 4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid (CID 104681033) is 4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid.
What is the SMILES notation for 4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid?
The canonical SMILES for 4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid is NCCC(Cc1cscn1)C(=O)O.
What is the InChIKey of 4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid?
The InChIKey is IZYLPIZDIVVPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c9-2-1-6(8(11)12)3-7-4-13-5-10-7/h4-6H,1-3,9H2,(H,11,12).
What are the key properties of 4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid?
4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid has a molecular weight of 200.26 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid is sourced from PubChem (CID 104681033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).