2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid

C9H12N2O2S — CID 107142827

IUPAC2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Nc2ccsc2)CNC1
InChIInChI=1S/C9H12N2O2S/c12-8(13)3-9(5-10-6-9)11-7-1-2-14-4-7/h1-2,4,10-11H,3,5-6H2,(H,12,13)
InChIKeyAUVGKOZHKSXXFS-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.98
Rot. Bonds4

About 2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid

2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid (PubChem CID 107142827) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid
PubChem CID107142827
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Nc2ccsc2)CNC1
InChIInChI=1S/C9H12N2O2S/c12-8(13)3-9(5-10-6-9)11-7-1-2-14-4-7/h1-2,4,10-11H,3,5-6H2,(H,12,13)
InChIKeyAUVGKOZHKSXXFS-UHFFFAOYSA-N
XLogP0.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 66355460
2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851631
2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid
CID 107142265
2-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]azetidin-3-yl]acetic acid
CID 107142172
2-[3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]azetidin-3-yl]acetic acid
CID 107142145
2-[3-(1,3-benzothiazol-6-ylamino)azetidin-3-yl]acetic acid
CID 114003256
2-[3-[4-bromo-3-(trifluoromethyl)anilino]azetidin-3-yl]acetic acid
CID 107142772
2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid
CID 107143038
N-thiophen-3-yl-5-azaspiro[2.3]hexane-2-carboxamide
CID 131107362
2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid
CID 107142177
2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700143
2-[3-(2-bromo-3-methylanilino)azetidin-3-yl]acetic acid
CID 107142956

Frequently Asked Questions

What is the IUPAC name of 2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid (CID 107142827) is 2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid is O=C(O)CC1(Nc2ccsc2)CNC1.
What is the InChIKey of 2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid?
The InChIKey is AUVGKOZHKSXXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-8(13)3-9(5-10-6-9)11-7-1-2-14-4-7/h1-2,4,10-11H,3,5-6H2,(H,12,13).
What are the key properties of 2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid?
2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid has a molecular weight of 212.27 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).