2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid

C11H17N3O3S — CID 104528051

IUPAC2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCC1(CNc2nc(C(N)C(=O)O)cs2)CCCO1
InChIInChI=1S/C11H17N3O3S/c1-11(3-2-4-17-11)6-13-10-14-7(5-18-10)8(12)9(15)16/h5,8H,2-4,6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyQFVCPGQHOOXWJS-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.21
Rot. Bonds5

About 2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 104528051) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID104528051
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCC1(CNc2nc(C(N)C(=O)O)cs2)CCCO1
InChIInChI=1S/C11H17N3O3S/c1-11(3-2-4-17-11)6-13-10-14-7(5-18-10)8(12)9(15)16/h5,8H,2-4,6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyQFVCPGQHOOXWJS-UHFFFAOYSA-N
XLogP1.21
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 103466449
2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527796
2-amino-2-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 104528076
2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527741
2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527975
2-amino-2-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527434
2-amino-2-[2-[(1-ethylpiperidin-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527698
2-amino-2-[2-[4-(dimethylamino)butylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527655
2-amino-2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527437
2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106343003
2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527323
2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 104528096

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid (CID 104528051) is 2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid is CC1(CNc2nc(C(N)C(=O)O)cs2)CCCO1.
What is the InChIKey of 2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is QFVCPGQHOOXWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-11(3-2-4-17-11)6-13-10-14-7(5-18-10)8(12)9(15)16/h5,8H,2-4,6,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 271.34 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104528051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).