3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H27N3O3 — CID 97270475

IUPAC3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccccc1[C@@H]1CCCN1C(=O)CN1CC2(CCNCC2)OC1=O
InChIInChI=1S/C20H27N3O3/c1-15-5-2-3-6-16(15)17-7-4-12-23(17)18(24)13-22-14-20(26-19(22)25)8-10-21-11-9-20/h2-3,5-6,17,21H,4,7-14H2,1H3/t17-/m0/s1
InChIKeyBZUNOWDHNSHOGV-KRWDZBQOSA-N
MW357.45 g/mol
LogP2.23
Rot. Bonds3

About 3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 97270475) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID97270475
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccccc1[C@@H]1CCCN1C(=O)CN1CC2(CCNCC2)OC1=O
InChIInChI=1S/C20H27N3O3/c1-15-5-2-3-6-16(15)17-7-4-12-23(17)18(24)13-22-14-20(26-19(22)25)8-10-21-11-9-20/h2-3,5-6,17,21H,4,7-14H2,1H3/t17-/m0/s1
InChIKeyBZUNOWDHNSHOGV-KRWDZBQOSA-N
XLogP2.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 97284191
3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72844562
3-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
CID 154899697
3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 97283219
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 54872354
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627664
[1-(aminomethyl)cyclobutyl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 115448109
2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 60947838
[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93373362
2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627618
1-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 99582849

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 97270475) is 3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1ccccc1[C@@H]1CCCN1C(=O)CN1CC2(CCNCC2)OC1=O.
What is the InChIKey of 3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BZUNOWDHNSHOGV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15-5-2-3-6-16(15)17-7-4-12-23(17)18(24)13-22-14-20(26-19(22)25)8-10-21-11-9-20/h2-3,5-6,17,21H,4,7-14H2,1H3/t17-/m0/s1.
What are the key properties of 3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 357.45 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97270475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).