4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide

C15H27N3O3 — CID 83098809

IUPAC4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC1CC(CN)(C(=O)N2CCOCC2C(=O)NC(C)C)C1
InChIInChI=1S/C15H27N3O3/c1-10(2)17-13(19)12-8-21-5-4-18(12)14(20)15(9-16)6-11(3)7-15/h10-12H,4-9,16H2,1-3H3,(H,17,19)
InChIKeyPIFQNGCDJFSZOQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.11
Rot. Bonds4

About 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide

4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83098809) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83098809
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC1CC(CN)(C(=O)N2CCOCC2C(=O)NC(C)C)C1
InChIInChI=1S/C15H27N3O3/c1-10(2)17-13(19)12-8-21-5-4-18(12)14(20)15(9-16)6-11(3)7-15/h10-12H,4-9,16H2,1-3H3,(H,17,19)
InChIKeyPIFQNGCDJFSZOQ-UHFFFAOYSA-N
XLogP0.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097281
4-(4-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106165
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107155
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
4-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103841
4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097667
4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107570452
4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097073
4-(4-aminocyclopent-2-ene-1-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83097662
4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096882

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide (CID 83098809) is 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide is CC1CC(CN)(C(=O)N2CCOCC2C(=O)NC(C)C)C1.
What is the InChIKey of 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is PIFQNGCDJFSZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-10(2)17-13(19)12-8-21-5-4-18(12)14(20)15(9-16)6-11(3)7-15/h10-12H,4-9,16H2,1-3H3,(H,17,19).
What are the key properties of 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide?
4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83098809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).