2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid

C11H19N3O3 — CID 107143014

IUPAC2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCC(=O)N2CCCC2)CNC1
InChIInChI=1S/C11H19N3O3/c15-9(14-3-1-2-4-14)6-13-11(5-10(16)17)7-12-8-11/h12-13H,1-8H2,(H,16,17)
InChIKeyJSFQCNAPRPLPJO-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.98
Rot. Bonds5

About 2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid

2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid (PubChem CID 107143014) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid
PubChem CID107143014
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCC(=O)N2CCCC2)CNC1
InChIInChI=1S/C11H19N3O3/c15-9(14-3-1-2-4-14)6-13-11(5-10(16)17)7-12-8-11/h12-13H,1-8H2,(H,16,17)
InChIKeyJSFQCNAPRPLPJO-UHFFFAOYSA-N
XLogP-0.98
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 107424618
2-[3-[(1-methylpiperidin-3-yl)methylamino]azetidin-3-yl]acetic acid
CID 107142490
2-[3-[(1-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid
CID 107142761
2-(3-fluoroazetidin-3-yl)-1-pyrrolidin-1-ylethanone;hydrochloride
CID 122239614
2-[3-(2-methylsulfanylpropylamino)azetidin-3-yl]acetic acid
CID 107143102
2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142077
2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid
CID 106215248
2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
CID 107142240
2-[3-(cyclobutylamino)azetidin-3-yl]acetic acid
CID 107142652
2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid
CID 106137098
2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid
CID 107143228
2-[3-[[3-(dimethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
CID 107142498

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid (CID 107143014) is 2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid is O=C(O)CC1(NCC(=O)N2CCCC2)CNC1.
What is the InChIKey of 2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid?
The InChIKey is JSFQCNAPRPLPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c15-9(14-3-1-2-4-14)6-13-11(5-10(16)17)7-12-8-11/h12-13H,1-8H2,(H,16,17).
What are the key properties of 2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid?
2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid has a molecular weight of 241.29 g/mol, XLogP of -0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107143014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).