4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide

C13H23N3O3 — CID 83096851

IUPAC4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)CC1(CN)CCC1
InChIInChI=1S/C13H23N3O3/c1-15-12(18)10-8-19-6-5-16(10)11(17)7-13(9-14)3-2-4-13/h10H,2-9,14H2,1H3,(H,15,18)
InChIKeyGCFCJHAOWZAWIV-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.52
Rot. Bonds4

About 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide

4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83096851) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide
PubChem CID83096851
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)CC1(CN)CCC1
InChIInChI=1S/C13H23N3O3/c1-15-12(18)10-8-19-6-5-16(10)11(17)7-13(9-14)3-2-4-13/h10H,2-9,14H2,1H3,(H,15,18)
InChIKeyGCFCJHAOWZAWIV-UHFFFAOYSA-N
XLogP-0.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide
CID 104678605
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide
CID 83099020
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide
CID 104678604
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide
CID 83099010
N-methyl-4-(2-piperidin-2-ylacetyl)morpholine-3-carboxamide
CID 83100626
4-[2-(4-aminopiperidin-1-yl)acetyl]-N-methylmorpholine-3-carboxamide
CID 83099577
4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide
CID 83106665
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
N-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide
CID 114627973
4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide
CID 83107170

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide (CID 83096851) is 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)CC1(CN)CCC1.
What is the InChIKey of 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is GCFCJHAOWZAWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-15-12(18)10-8-19-6-5-16(10)11(17)7-13(9-14)3-2-4-13/h10H,2-9,14H2,1H3,(H,15,18).
What are the key properties of 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide?
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83096851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).