4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide

C14H25N3O3 — CID 120930377

IUPAC4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide
SMILESCC(C)N1CC(NC(=O)C2(CN)CCOCC2)CC1=O
InChIInChI=1S/C14H25N3O3/c1-10(2)17-8-11(7-12(17)18)16-13(19)14(9-15)3-5-20-6-4-14/h10-11H,3-9,15H2,1-2H3,(H,16,19)
InChIKeyUSQBXFLFGKDZTR-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.13
Rot. Bonds4

About 4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide

4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide (PubChem CID 120930377) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide
PubChem CID120930377
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide
SMILESCC(C)N1CC(NC(=O)C2(CN)CCOCC2)CC1=O
InChIInChI=1S/C14H25N3O3/c1-10(2)17-8-11(7-12(17)18)16-13(19)14(9-15)3-5-20-6-4-14/h10-11H,3-9,15H2,1-2H3,(H,16,19)
InChIKeyUSQBXFLFGKDZTR-UHFFFAOYSA-N
XLogP-0.13
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride
CID 120937591
4-(aminomethyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride
CID 120936806
1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119758192
2-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide
CID 110736652
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120935393
4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
CID 63363409
4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]oxane-4-carboxamide
CID 120942736
2-(4-methoxyphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736682
2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736735
4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride
CID 120941198
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide (CID 120930377) is 4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide is CC(C)N1CC(NC(=O)C2(CN)CCOCC2)CC1=O.
What is the InChIKey of 4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide?
The InChIKey is USQBXFLFGKDZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10(2)17-8-11(7-12(17)18)16-13(19)14(9-15)3-5-20-6-4-14/h10-11H,3-9,15H2,1-2H3,(H,16,19).
What are the key properties of 4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide?
4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide has a molecular weight of 283.37 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 120930377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).