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

C10H16N2O2S — CID 106488537

IUPAC2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
SMILESCC(C)C(CN)(Cc1cscn1)C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-7(2)10(5-11,9(13)14)3-8-4-15-6-12-8/h4,6-7H,3,5,11H2,1-2H3,(H,13,14)
InChIKeyIAJHPSYYQILHOB-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.37
Rot. Bonds5

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

2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid (PubChem CID 106488537) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
PubChem CID106488537
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
SMILESCC(C)C(CN)(Cc1cscn1)C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-7(2)10(5-11,9(13)14)3-8-4-15-6-12-8/h4,6-7H,3,5,11H2,1-2H3,(H,13,14)
InChIKeyIAJHPSYYQILHOB-UHFFFAOYSA-N
XLogP1.37
TPSA76.21 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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 68831374
2-(aminomethyl)-3-methyl-2-(pyrimidin-2-ylmethyl)butanoic acid
CID 106488505
(2R)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 69472054
2-formyl-2-methoxy-3-(1,3-thiazol-4-yl)propanoic acid
CID 156622008
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid
CID 7020917
tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate
CID 103389967
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoate;hydrochloride
CID 156702107
1,3-thiazol-4-ylmethyl acetate
CID 45117618
2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
CID 107067051
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62668943
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 104681033

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid?
The IUPAC name of 2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid (CID 106488537) is 2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid is CC(C)C(CN)(Cc1cscn1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid?
The InChIKey is IAJHPSYYQILHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(2)10(5-11,9(13)14)3-8-4-15-6-12-8/h4,6-7H,3,5,11H2,1-2H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid?
2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid has a molecular weight of 228.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid is sourced from PubChem (CID 106488537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).