2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid

C10H18N2O2S — CID 107143163

IUPAC2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NC2CCSCC2)CNC1
InChIInChI=1S/C10H18N2O2S/c13-9(14)5-10(6-11-7-10)12-8-1-3-15-4-2-8/h8,11-12H,1-7H2,(H,13,14)
InChIKeySAAZAOQOJDGZCQ-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.29
Rot. Bonds4

About 2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid

2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid (PubChem CID 107143163) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid
PubChem CID107143163
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NC2CCSCC2)CNC1
InChIInChI=1S/C10H18N2O2S/c13-9(14)5-10(6-11-7-10)12-8-1-3-15-4-2-8/h8,11-12H,1-7H2,(H,13,14)
InChIKeySAAZAOQOJDGZCQ-UHFFFAOYSA-N
XLogP0.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(cyclobutylamino)azetidin-3-yl]acetic acid
CID 107142652
2-[3-(oxan-4-ylamino)azetidin-3-yl]acetic acid
CID 107142370
2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid
CID 107142855
2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid
CID 107853795
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(thian-4-ylamino)azetidin-3-yl]acetic acid
CID 107143162
2-[3-[(2-methyloxolan-3-yl)amino]azetidin-3-yl]acetic acid
CID 107142991
2-[1-(cyclopentylamino)cyclopentyl]acetic acid
CID 82933315
2-[3-(thian-2-ylmethylamino)azetidin-3-yl]acetic acid
CID 107142886
2-(thian-4-ylamino)acetic acid
CID 43511382
2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid
CID 106137098
2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142077
2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid
CID 107142827

Frequently Asked Questions

What is the IUPAC name of 2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid (CID 107143163) is 2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid is O=C(O)CC1(NC2CCSCC2)CNC1.
What is the InChIKey of 2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid?
The InChIKey is SAAZAOQOJDGZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c13-9(14)5-10(6-11-7-10)12-8-1-3-15-4-2-8/h8,11-12H,1-7H2,(H,13,14).
What are the key properties of 2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid?
2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid has a molecular weight of 230.33 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107143163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).