1-(4-aminooxane-4-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide

C14H23N3O3 — CID 115294235

IUPAC1-(4-aminooxane-4-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESNC1(C(=O)N2CCCC2C(=O)NC2CC2)CCOCC1
InChIInChI=1S/C14H23N3O3/c15-14(5-8-20-9-6-14)13(19)17-7-1-2-11(17)12(18)16-10-3-4-10/h10-11H,1-9,15H2,(H,16,18)
InChIKeyQFHXYMQAXOIQSF-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.24
Rot. Bonds3

About 1-(4-aminooxane-4-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide

1-(4-aminooxane-4-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 115294235) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(4-aminooxane-4-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-aminooxane-4-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID115294235
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-(4-aminooxane-4-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESNC1(C(=O)N2CCCC2C(=O)NC2CC2)CCOCC1
InChIInChI=1S/C14H23N3O3/c15-14(5-8-20-9-6-14)13(19)17-7-1-2-11(17)12(18)16-10-3-4-10/h10-11H,1-9,15H2,(H,16,18)
InChIKeyQFHXYMQAXOIQSF-UHFFFAOYSA-N
XLogP-0.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminocyclopentanecarbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098030
[1-(1-aminocyclopentanecarbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 60939117
(4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107218110
1-(3-aminopropanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60939858
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
(2S)-1-N-cyclohexyl-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 1445867
N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
N-cyclopropyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-2-carboxamide
CID 61029481
1-[(2R)-2-aminopropanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291892
1-[2-(4-aminopiperidin-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 79323069
1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61163718

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxane-4-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-aminooxane-4-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 115294235) is 1-(4-aminooxane-4-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-aminooxane-4-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-aminooxane-4-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide is NC1(C(=O)N2CCCC2C(=O)NC2CC2)CCOCC1.
What is the InChIKey of 1-(4-aminooxane-4-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is QFHXYMQAXOIQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c15-14(5-8-20-9-6-14)13(19)17-7-1-2-11(17)12(18)16-10-3-4-10/h10-11H,1-9,15H2,(H,16,18).
What are the key properties of 1-(4-aminooxane-4-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide?
1-(4-aminooxane-4-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxane-4-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 115294235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).