2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid

C13H21N3O5 — CID 116683560

IUPAC2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid
SMILESCNC(=O)C1COCCN1C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C13H21N3O5/c1-8(12(18)19)9-5-15(6-9)13(20)16-3-4-21-7-10(16)11(17)14-2/h8-10H,3-7H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyJCGDSYMIKXZXOU-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.79
Rot. Bonds3

About 2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid

2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid (PubChem CID 116683560) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid
PubChem CID116683560
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid
SMILESCNC(=O)C1COCCN1C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C13H21N3O5/c1-8(12(18)19)9-5-15(6-9)13(20)16-3-4-21-7-10(16)11(17)14-2/h8-10H,3-7H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyJCGDSYMIKXZXOU-UHFFFAOYSA-N
XLogP-0.79
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid
CID 83104302
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid
CID 112626971
3,3-dimethyl-2-[3-(methylcarbamoyl)morpholine-4-carbonyl]butanoic acid
CID 116537418
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103899
4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid
CID 107146454
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 83104998
N-methyl-4-(2-piperazin-1-ylpropanoyl)morpholine-3-carboxamide
CID 83103255
4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide
CID 83098645
4-[2-(3-aminocyclohexyl)propanoyl]-N-methylmorpholine-3-carboxamide
CID 106593033

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid (CID 116683560) is 2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid is CNC(=O)C1COCCN1C(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid?
The InChIKey is JCGDSYMIKXZXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-8(12(18)19)9-5-15(6-9)13(20)16-3-4-21-7-10(16)11(17)14-2/h8-10H,3-7H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid?
2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid has a molecular weight of 299.33 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(methylcarbamoyl)morpholine-4-carbonyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).