2-morpholin-4-ylpropanoic acid

C7H13NO3 — CID 3152565

IUPAC2-morpholin-4-ylpropanoic acid
SMILESCC(C(=O)O)N1CCOCC1
InChIInChI=1S/C7H13NO3/c1-6(7(9)10)8-2-4-11-5-3-8/h6H,2-5H2,1H3,(H,9,10)
InChIKeyWEJKUVSYIGOBAR-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.21
Rot. Bonds2

About 2-morpholin-4-ylpropanoic acid

2-morpholin-4-ylpropanoic acid (PubChem CID 3152565) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-morpholin-4-ylpropanoic acid
PubChem CID3152565
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-morpholin-4-ylpropanoic acid
SMILESCC(C(=O)O)N1CCOCC1
InChIInChI=1S/C7H13NO3/c1-6(7(9)10)8-2-4-11-5-3-8/h6H,2-5H2,1H3,(H,9,10)
InChIKeyWEJKUVSYIGOBAR-UHFFFAOYSA-N
XLogP-0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Morpholineacetic acid
CID 438968
4-(Carboxymethyl)-4-methylmorpholin-4-ium chloride
CID 44367147
2-(Morpholin-4-yl)propanoic acid hydrochloride
CID 43810774
2-Methyl-2-(morpholin-4-yl)propanoic acid hydrochloride
CID 47003124
4-Methylmorpholine-3-carboxylic acid hydrochloride
CID 53408019
(S)-4-methylmorpholine-3-carboxylic acid
CID 55300758
(2S)-2-(morpholin-4-yl)propanoic acid hydrochloride
CID 102594511
4-Ethylmorpholine-3-carboxylic acid hydrochloride
CID 71757703
Ethyl 2-morpholin-4-ylpropanoate
CID 13022013
Methyl 2-(4-morpholinyl)propanoate
CID 15164418
2-(4-Ethylmorpholin-4-ium-4-yl)acetic acid
CID 54299620
2-(3,3-Dimethylmorpholin-4-yl)acetic acid
CID 57465005

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylpropanoic acid?
The IUPAC name of 2-morpholin-4-ylpropanoic acid (CID 3152565) is 2-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 2-morpholin-4-ylpropanoic acid?
The canonical SMILES for 2-morpholin-4-ylpropanoic acid is CC(C(=O)O)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylpropanoic acid?
The InChIKey is WEJKUVSYIGOBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(7(9)10)8-2-4-11-5-3-8/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-morpholin-4-ylpropanoic acid?
2-morpholin-4-ylpropanoic acid has a molecular weight of 159.18 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 3152565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).