3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid

C13H21N3O5 — CID 83104295

IUPAC3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
SMILESCNC(=O)C1COCCN1C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C13H21N3O5/c1-14-12(19)10-8-21-7-6-16(10)13(20)15(9-2-3-9)5-4-11(17)18/h9-10H,2-8H2,1H3,(H,14,19)(H,17,18)
InChIKeyAQFIHIKATOLZGR-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.51
Rot. Bonds5

About 3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid

3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid (PubChem CID 83104295) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
PubChem CID83104295
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
SMILESCNC(=O)C1COCCN1C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C13H21N3O5/c1-14-12(19)10-8-21-7-6-16(10)13(20)15(9-2-3-9)5-4-11(17)18/h9-10H,2-8H2,1H3,(H,14,19)(H,17,18)
InChIKeyAQFIHIKATOLZGR-UHFFFAOYSA-N
XLogP-0.51
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83104272
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
2-[(3-carbamoylmorpholine-4-carbonyl)-cyclopropylamino]acetic acid
CID 83095825
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104157
3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid
CID 113451757
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 83104998
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243
3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid
CID 83106311
(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 102945606
4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide
CID 83106665

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid (CID 83104295) is 3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid is CNC(=O)C1COCCN1C(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid?
The InChIKey is AQFIHIKATOLZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-14-12(19)10-8-21-7-6-16(10)13(20)15(9-2-3-9)5-4-11(17)18/h9-10H,2-8H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid?
3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid has a molecular weight of 299.33 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 3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 83104295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).