3-(acetamidomethyl)morpholine-4-carboxylic acid

C8H14N2O4 — CID 174875901

IUPAC3-(acetamidomethyl)morpholine-4-carboxylic acid
SMILESCC(=O)NCC1COCCN1C(=O)O
InChIInChI=1S/C8H14N2O4/c1-6(11)9-4-7-5-14-3-2-10(7)8(12)13/h7H,2-5H2,1H3,(H,9,11)(H,12,13)
InChIKeyWYGHBQLMNASXOA-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.50
Rot. Bonds2

About 3-(acetamidomethyl)morpholine-4-carboxylic acid

3-(acetamidomethyl)morpholine-4-carboxylic acid (PubChem CID 174875901) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-(acetamidomethyl)morpholine-4-carboxylic acid.

Molecular Properties

Compound Name3-(acetamidomethyl)morpholine-4-carboxylic acid
PubChem CID174875901
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name3-(acetamidomethyl)morpholine-4-carboxylic acid
SMILESCC(=O)NCC1COCCN1C(=O)O
InChIInChI=1S/C8H14N2O4/c1-6(11)9-4-7-5-14-3-2-10(7)8(12)13/h7H,2-5H2,1H3,(H,9,11)(H,12,13)
InChIKeyWYGHBQLMNASXOA-UHFFFAOYSA-N
XLogP-0.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylmorpholin-3-yl)methyl]acetamide
CID 10035059
1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone
CID 162424231
1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
CID 139553526
(3S)-3-(methylsulfonyloxymethyl)morpholine-4-carboxylic acid
CID 170344357
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
2,3-dimethyl-N-[(4-methylmorpholin-3-yl)methyl]but-2-enamide
CID 123822393
3-hydroxymorpholine-4-carboxylic acid
CID 66845221
2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid
CID 114120332
tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate
CID 135183986
3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid
CID 67090626
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 104877480
N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide
CID 43613314

Frequently Asked Questions

What is the IUPAC name of 3-(acetamidomethyl)morpholine-4-carboxylic acid?
The IUPAC name of 3-(acetamidomethyl)morpholine-4-carboxylic acid (CID 174875901) is 3-(acetamidomethyl)morpholine-4-carboxylic acid.
What is the SMILES notation for 3-(acetamidomethyl)morpholine-4-carboxylic acid?
The canonical SMILES for 3-(acetamidomethyl)morpholine-4-carboxylic acid is CC(=O)NCC1COCCN1C(=O)O.
What is the InChIKey of 3-(acetamidomethyl)morpholine-4-carboxylic acid?
The InChIKey is WYGHBQLMNASXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-6(11)9-4-7-5-14-3-2-10(7)8(12)13/h7H,2-5H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 3-(acetamidomethyl)morpholine-4-carboxylic acid?
3-(acetamidomethyl)morpholine-4-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(acetamidomethyl)morpholine-4-carboxylic acid is sourced from PubChem (CID 174875901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).