3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid

C9H16N2O5 — CID 81077004

IUPAC3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid
SMILESCOCC(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-15-6-7(8(12)13)10-9(14)11-2-4-16-5-3-11/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyGJGKEHOLPXWPLI-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.87
Rot. Bonds4

About 3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid

3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid (PubChem CID 81077004) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid
PubChem CID81077004
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid
SMILESCOCC(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-15-6-7(8(12)13)10-9(14)11-2-4-16-5-3-11/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyGJGKEHOLPXWPLI-UHFFFAOYSA-N
XLogP-0.87
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-2-(morpholine-4-carbonylamino)propanoic 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

2-(azepane-1-carbonylamino)-3-methoxypropanoic acid
CID 81077084
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325
3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid
CID 81084937
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-3-methoxypropanoic acid
CID 81115148
3-methoxy-2-(1,4-thiazepane-4-carbonylamino)propanoic acid
CID 81084619
N-(1-methoxypentan-2-yl)morpholine-4-carboxamide
CID 116656280
2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62968340
(2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 107566897
4-methyl-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62969212
2-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonylamino)-3-methoxypropanoic acid
CID 81084567
3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid
CID 103536327
2-(1,4-oxazepane-4-carbonylamino)hexanoic acid
CID 62967980

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid (CID 81077004) is 3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid is COCC(NC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid?
The InChIKey is GJGKEHOLPXWPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-15-6-7(8(12)13)10-9(14)11-2-4-16-5-3-11/h7H,2-6H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid?
3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid has a molecular weight of 232.24 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid is sourced from PubChem (CID 81077004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).