3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid

C9H16N2O4 — CID 61209883

IUPAC3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid
SMILESCC1COCCN1C(=O)NCCC(=O)O
InChIInChI=1S/C9H16N2O4/c1-7-6-15-5-4-11(7)9(14)10-3-2-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyVHKDFXVXDILLDT-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.11
Rot. Bonds3

About 3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid

3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid (PubChem CID 61209883) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid
PubChem CID61209883
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid
SMILESCC1COCCN1C(=O)NCCC(=O)O
InChIInChI=1S/C9H16N2O4/c1-7-6-15-5-4-11(7)9(14)10-3-2-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyVHKDFXVXDILLDT-UHFFFAOYSA-N
XLogP-0.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid
CID 81204807
3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid
CID 122017688
(3R)-N-tert-butyl-3-methylmorpholine-4-carboxamide
CID 106774167
(3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
CID 94052563
4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 60842403
7-[(3-carbamoylmorpholine-4-carbonyl)amino]heptanoic acid
CID 83098739
6-[(3-carbamoylmorpholine-4-carbonyl)amino]hexanoic acid
CID 83096416
2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 79800880
3-(3-methylmorpholin-4-yl)propanoic acid
CID 43542324
3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676
(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887208

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid (CID 61209883) is 3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid is CC1COCCN1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid?
The InChIKey is VHKDFXVXDILLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-7-6-15-5-4-11(7)9(14)10-3-2-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid?
3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61209883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).