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

C9H14N2O2S — CID 104527038

IUPAC2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid
SMILESCCC(C)c1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C9H14N2O2S/c1-3-5(2)8-11-6(4-14-8)7(10)9(12)13/h4-5,7H,3,10H2,1-2H3,(H,12,13)
InChIKeyKKXHMMRTIACEBA-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.74
Rot. Bonds4

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

2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid (PubChem CID 104527038) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid
PubChem CID104527038
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid
SMILESCCC(C)c1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C9H14N2O2S/c1-3-5(2)8-11-6(4-14-8)7(10)9(12)13/h4-5,7H,3,10H2,1-2H3,(H,12,13)
InChIKeyKKXHMMRTIACEBA-UHFFFAOYSA-N
XLogP1.74
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527337
1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine
CID 113461173
2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527466
2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527355
2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527323
2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid
CID 114129193
2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 103466449
2-amino-2-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
CID 113423061
2-amino-2-[2-(octan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527631
2-amino-2-[2-(3,3-dimethylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104830469
2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 104528096
2-amino-2-[2-(2-cyanopropan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 103097346

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid (CID 104527038) is 2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid is CCC(C)c1nc(C(N)C(=O)O)cs1.
What is the InChIKey of 2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is KKXHMMRTIACEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-5(2)8-11-6(4-14-8)7(10)9(12)13/h4-5,7H,3,10H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid?
2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 214.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 104527038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).