2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid

C13H22N2O4 — CID 61428037

IUPAC2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESCC1(C)COCCN1C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C13H22N2O4/c1-13(2)9-19-7-6-15(13)12(18)14-5-3-4-10(14)8-11(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyWQKAVKVNFMHWEO-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.16
Rot. Bonds2

About 2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid

2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61428037) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID61428037
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESCC1(C)COCCN1C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C13H22N2O4/c1-13(2)9-19-7-6-15(13)12(18)14-5-3-4-10(14)8-11(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyWQKAVKVNFMHWEO-UHFFFAOYSA-N
XLogP1.16
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid (CID 61428037) is 2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid is CC1(C)COCCN1C(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is WQKAVKVNFMHWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2)9-19-7-6-15(13)12(18)14-5-3-4-10(14)8-11(16)17/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61428037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).