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

C14H24N2O5 — CID 81198516

IUPAC2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid
SMILESCC1COC(CO)CN1C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-10-9-21-12(8-17)7-16(10)14(20)15-4-2-3-11(6-15)5-13(18)19/h10-12,17H,2-9H2,1H3,(H,18,19)
InChIKeyASRAUJINEKKVNJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.37
Rot. Bonds3

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

2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid (PubChem CID 81198516) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid
PubChem CID81198516
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid
SMILESCC1COC(CO)CN1C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-10-9-21-12(8-17)7-16(10)14(20)15-4-2-3-11(6-15)5-13(18)19/h10-12,17H,2-9H2,1H3,(H,18,19)
InChIKeyASRAUJINEKKVNJ-UHFFFAOYSA-N
XLogP0.37
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid
CID 81204512
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
CID 81218847
2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid
CID 62691356
2-[1-(2,5-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64617027
2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid
CID 62674492
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 81209250
2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
CID 103978998
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-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434843
(2,5-dimethylmorpholin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 116654294

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid (CID 81198516) is 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid is CC1COC(CO)CN1C(=O)N1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid?
The InChIKey is ASRAUJINEKKVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-10-9-21-12(8-17)7-16(10)14(20)15-4-2-3-11(6-15)5-13(18)19/h10-12,17H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid?
2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid has a molecular weight of 300.36 g/mol, XLogP of 0.37, 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]piperidin-3-yl]acetic acid is sourced from PubChem (CID 81198516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).