2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid

C13H22N2O5 — CID 81204512

IUPAC2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid
SMILESCC1COC(CO)CN1C(=O)N1CCC(CC(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-9-8-20-11(7-16)6-15(9)13(19)14-3-2-10(5-14)4-12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyIXTIYDYFXPMBNE-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.02
Rot. Bonds3

About 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid

2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid (PubChem CID 81204512) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid
PubChem CID81204512
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid
SMILESCC1COC(CO)CN1C(=O)N1CCC(CC(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-9-8-20-11(7-16)6-15(9)13(19)14-3-2-10(5-14)4-12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyIXTIYDYFXPMBNE-UHFFFAOYSA-N
XLogP-0.02
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid
CID 81198516
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
CID 81218847
2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64617027
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 81204286
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83095359
2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid
CID 62691356
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
CID 103978998
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 114538676

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid (CID 81204512) is 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid is CC1COC(CO)CN1C(=O)N1CCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid?
The InChIKey is IXTIYDYFXPMBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-9-8-20-11(7-16)6-15(9)13(19)14-3-2-10(5-14)4-12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid?
2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 81204512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).