4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide

C11H21N3O3 — CID 83106811

IUPAC4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C(=O)CCN
InChIInChI=1S/C11H21N3O3/c1-2-5-13-11(16)9-8-17-7-6-14(9)10(15)3-4-12/h9H,2-8,12H2,1H3,(H,13,16)
InChIKeyXULCRJZPDYKRSG-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.91
Rot. Bonds5

About 4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide

4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide (PubChem CID 83106811) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
PubChem CID83106811
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C(=O)CCN
InChIInChI=1S/C11H21N3O3/c1-2-5-13-11(16)9-8-17-7-6-14(9)10(15)3-4-12/h9H,2-8,12H2,1H3,(H,13,16)
InChIKeyXULCRJZPDYKRSG-UHFFFAOYSA-N
XLogP-0.91
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide
CID 83098648
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide
CID 83099020
N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
CID 83099263
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide
CID 83097059
4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide
CID 83097999
4-[2-(cyanomethylamino)-2-oxoacetyl]-N-propylmorpholine-3-carboxamide
CID 83097670
4-(2-bromo-3-methylbutanoyl)-N-propylmorpholine-3-carboxamide
CID 83106243
4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide
CID 83106517

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide (CID 83106811) is 4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1C(=O)CCN.
What is the InChIKey of 4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide?
The InChIKey is XULCRJZPDYKRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-5-13-11(16)9-8-17-7-6-14(9)10(15)3-4-12/h9H,2-8,12H2,1H3,(H,13,16).
What are the key properties of 4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide?
4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83106811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).