2-(morpholin-4-ylmethyl)butanedioic acid

C9H15NO5 — CID 45376163

IUPAC2-(morpholin-4-ylmethyl)butanedioic acid
SMILESO=C(O)CC(CN1CCOCC1)C(=O)O
InChIInChI=1S/C9H15NO5/c11-8(12)5-7(9(13)14)6-10-1-3-15-4-2-10/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyNMOHSNNAJAWNDL-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.51
Rot. Bonds5

About 2-(morpholin-4-ylmethyl)butanedioic acid

2-(morpholin-4-ylmethyl)butanedioic acid (PubChem CID 45376163) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)butanedioic acid.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)butanedioic acid
PubChem CID45376163
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2-(morpholin-4-ylmethyl)butanedioic acid
SMILESO=C(O)CC(CN1CCOCC1)C(=O)O
InChIInChI=1S/C9H15NO5/c11-8(12)5-7(9(13)14)6-10-1-3-15-4-2-10/h7H,1-6H2,(H,11,12)(H,13,14)
InChIKeyNMOHSNNAJAWNDL-UHFFFAOYSA-N
XLogP-0.51
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(morpholin-4-ylmethyl)butanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-4-morpholin-4-ylbutanoic acid
CID 79006775
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
(3R)-3-hydroxy-4-morpholin-4-ylbutanamide
CID 69066222
6-borono-3-(morpholin-4-ylmethyl)hexanoic acid
CID 155589053
(4S)-4-amino-5-morpholin-4-ylpentanoic acid
CID 97055085
methyl 2-(morpholin-4-ylmethyl)butanoate
CID 117242059
2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride
CID 6603036
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
(2R)-2-ethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 59930843
2-(4-bromophenyl)-3-morpholin-4-ylpropanoic acid
CID 82095248
3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid
CID 66704647

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)butanedioic acid?
The IUPAC name of 2-(morpholin-4-ylmethyl)butanedioic acid (CID 45376163) is 2-(morpholin-4-ylmethyl)butanedioic acid.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)butanedioic acid?
The canonical SMILES for 2-(morpholin-4-ylmethyl)butanedioic acid is O=C(O)CC(CN1CCOCC1)C(=O)O.
What is the InChIKey of 2-(morpholin-4-ylmethyl)butanedioic acid?
The InChIKey is NMOHSNNAJAWNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c11-8(12)5-7(9(13)14)6-10-1-3-15-4-2-10/h7H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 2-(morpholin-4-ylmethyl)butanedioic acid?
2-(morpholin-4-ylmethyl)butanedioic acid has a molecular weight of 217.22 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)butanedioic acid is sourced from PubChem (CID 45376163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).