4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid

C9H16N2O5 — CID 106112662

IUPAC4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid
SMILESCOC(CN)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C9H16N2O5/c1-15-6(4-10)8(12)11-2-3-16-7(5-11)9(13)14/h6-7H,2-5,10H2,1H3,(H,13,14)
InChIKeyGEEPCMXEMDMKIW-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.73
Rot. Bonds4

About 4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid

4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid (PubChem CID 106112662) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid
PubChem CID106112662
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid
SMILESCOC(CN)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C9H16N2O5/c1-15-6(4-10)8(12)11-2-3-16-7(5-11)9(13)14/h6-7H,2-5,10H2,1H3,(H,13,14)
InChIKeyGEEPCMXEMDMKIW-UHFFFAOYSA-N
XLogP-1.73
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid
CID 107569483
(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
CID 125118721
4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
CID 119239391
4-acetylmorpholine-2-carboxylic acid
CID 20598078
(2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid
CID 125150816
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
(2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid
CID 125152151
3-amino-1-(2,6-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
CID 106110973
3-amino-1-(3-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111292
3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111138
(2S)-4-[(2R)-2-(2-methylphenoxy)butanoyl]morpholine-2-carboxylic acid
CID 125148922
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-amino-2-methoxypropan-1-one
CID 114144993

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid (CID 106112662) is 4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid is COC(CN)C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid?
The InChIKey is GEEPCMXEMDMKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-15-6(4-10)8(12)11-2-3-16-7(5-11)9(13)14/h6-7H,2-5,10H2,1H3,(H,13,14).
What are the key properties of 4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid?
4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of -1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 106112662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).