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

C12H18N2O2S — CID 104527298

IUPAC2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
SMILESCCC1CCC(c2nc(C(N)C(=O)O)cs2)C1
InChIInChI=1S/C12H18N2O2S/c1-2-7-3-4-8(5-7)11-14-9(6-17-11)10(13)12(15)16/h6-8,10H,2-5,13H2,1H3,(H,15,16)
InChIKeyVPDGTNCBQLWEKG-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.52
Rot. Bonds4

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

2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527298) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID104527298
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
SMILESCCC1CCC(c2nc(C(N)C(=O)O)cs2)C1
InChIInChI=1S/C12H18N2O2S/c1-2-7-3-4-8(5-7)11-14-9(6-17-11)10(13)12(15)16/h6-8,10H,2-5,13H2,1H3,(H,15,16)
InChIKeyVPDGTNCBQLWEKG-UHFFFAOYSA-N
XLogP2.52
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
CID 65415626
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
CID 65409041
1-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanone
CID 65404993
2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527741
2-amino-2-[2-(thiolan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 164648525
2-(3-ethylcyclohexyl)-1,3-thiazole-4-carboxylic acid
CID 65401658
methyl 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetate
CID 80574008
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
CID 65403899
2-amino-2-[2-(3-methyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527236
2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid
CID 104527038
4-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]benzonitrile
CID 65404104
4-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 79692524

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid (CID 104527298) is 2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid is CCC1CCC(c2nc(C(N)C(=O)O)cs2)C1.
What is the InChIKey of 2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is VPDGTNCBQLWEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-7-3-4-8(5-7)11-14-9(6-17-11)10(13)12(15)16/h6-8,10H,2-5,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 254.35 g/mol, XLogP of 2.52, 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-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).