(4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one

C15H26N2O3 — CID 9365067

IUPAC(4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one
SMILESCOC[C@H](C)N1C[C@H](C(=O)N2CCCCCC2)CC1=O
InChIInChI=1S/C15H26N2O3/c1-12(11-20-2)17-10-13(9-14(17)18)15(19)16-7-5-3-4-6-8-16/h12-13H,3-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyXAURKZSTFATPFV-QWHCGFSZSA-N
MW282.38 g/mol
LogP1.27
Rot. Bonds4

About (4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one

(4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one (PubChem CID 9365067) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one
PubChem CID9365067
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one
SMILESCOC[C@H](C)N1C[C@H](C(=O)N2CCCCCC2)CC1=O
InChIInChI=1S/C15H26N2O3/c1-12(11-20-2)17-10-13(9-14(17)18)15(19)16-7-5-3-4-6-8-16/h12-13H,3-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyXAURKZSTFATPFV-QWHCGFSZSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Azepane-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 53181900
4-(Azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one
CID 6472884
N-(oxetan-3-yl)-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 156336530
N,1-dimethyl-N-(oxetan-3-yl)pyrrolidine-3-carboxamide
CID 156736992
(4R)-4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one
CID 8068549
(4S)-4-(azepane-1-carbonyl)-1-tert-butylpyrrolidin-2-one
CID 8068550
(3R)-N,N-bis(cyanomethyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364867
(3R)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364868
(3S)-N,N-bis(cyanomethyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364869
(3S)-N,N-bis(cyanomethyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364870
(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9364887
(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9364888

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one (CID 9365067) is (4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one is COC[C@H](C)N1C[C@H](C(=O)N2CCCCCC2)CC1=O.
What is the InChIKey of (4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one?
The InChIKey is XAURKZSTFATPFV-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12(11-20-2)17-10-13(9-14(17)18)15(19)16-7-5-3-4-6-8-16/h12-13H,3-11H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one?
(4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one has a molecular weight of 282.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(azepane-1-carbonyl)-1-[(2S)-1-methoxypropan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 9365067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).