2-(2-methylmorpholin-3-yl)acetic acid

C7H13NO3 — CID 82275223

IUPAC2-(2-methylmorpholin-3-yl)acetic acid
SMILESCC1OCCNC1CC(=O)O
InChIInChI=1S/C7H13NO3/c1-5-6(4-7(9)10)8-2-3-11-5/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyZSZGVDXYAUVOHW-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.16
Rot. Bonds2

About 2-(2-methylmorpholin-3-yl)acetic acid

2-(2-methylmorpholin-3-yl)acetic acid (PubChem CID 82275223) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-(2-methylmorpholin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methylmorpholin-3-yl)acetic acid
PubChem CID82275223
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-(2-methylmorpholin-3-yl)acetic acid
SMILESCC1OCCNC1CC(=O)O
InChIInChI=1S/C7H13NO3/c1-5-6(4-7(9)10)8-2-3-11-5/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyZSZGVDXYAUVOHW-UHFFFAOYSA-N
XLogP-0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,4R)-4-hydroxypiperidine-2-carboxylate
CID 10844681
Morpholine-3-acetic acid methyl ester
CID 44890820
Morpholine-3-acetic acid methyl ester hydrochloride
CID 50998249
(2R,4R)-methyl 4-hydroxypiperidine-2-carboxylate
CID 42544336
2-Morpholin-3-ylpropanoic acid
CID 22048500
Methyl 4-hydroxypiperidine-2-carboxylate
CID 10103419
Methyl 5-fluoro-4-hydroxy-3-(methylamino)pentanoate
CID 59938145
2-[6-(Trifluoromethyl)morpholin-3-yl]aceticacidhydrochloride
CID 155970375
2-[6-(Trifluoromethyl)morpholin-3-yl]acetic acid
CID 155970376
rac-2-[(3R,6R)-6-(trifluoromethyl)morpholin-3-yl]aceticacidhydrochloride
CID 155973320
rac-2-[(3R,6R)-6-(trifluoromethyl)morpholin-3-yl]acetic acid
CID 155973321
methyl (2R,4S)-4-hydroxypiperidine-2-carboxylate
CID 11321108

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-3-yl)acetic acid?
The IUPAC name of 2-(2-methylmorpholin-3-yl)acetic acid (CID 82275223) is 2-(2-methylmorpholin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-methylmorpholin-3-yl)acetic acid?
The canonical SMILES for 2-(2-methylmorpholin-3-yl)acetic acid is CC1OCCNC1CC(=O)O.
What is the InChIKey of 2-(2-methylmorpholin-3-yl)acetic acid?
The InChIKey is ZSZGVDXYAUVOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5-6(4-7(9)10)8-2-3-11-5/h5-6,8H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-(2-methylmorpholin-3-yl)acetic acid?
2-(2-methylmorpholin-3-yl)acetic acid has a molecular weight of 159.18 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-3-yl)acetic acid is sourced from PubChem (CID 82275223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).