1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one

C16H24N2O2 — CID 97065331

IUPAC1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one
SMILESCc1ccccc1[C@H](C)NC[C@@H](O)CN1CCCC1=O
InChIInChI=1S/C16H24N2O2/c1-12-6-3-4-7-15(12)13(2)17-10-14(19)11-18-9-5-8-16(18)20/h3-4,6-7,13-14,17,19H,5,8-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyNVHDEYIQPJKXHY-UONOGXRCSA-N
MW276.38 g/mol
LogP1.63
Rot. Bonds6

About 1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one

1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one (PubChem CID 97065331) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one
PubChem CID97065331
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one
SMILESCc1ccccc1[C@H](C)NC[C@@H](O)CN1CCCC1=O
InChIInChI=1S/C16H24N2O2/c1-12-6-3-4-7-15(12)13(2)17-10-14(19)11-18-9-5-8-16(18)20/h3-4,6-7,13-14,17,19H,5,8-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyNVHDEYIQPJKXHY-UONOGXRCSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-3-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 124615048
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 23584597
1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
CID 10957051
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride
CID 23584596
1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea
CID 94783682
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 81375054
1-[3-(tert-butylamino)-2-hydroxypropyl]azepan-2-one
CID 115475535
1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 95590635
1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729320
1-[(2S)-3-benzylsulfonyl-2-hydroxypropyl]pyrrolidin-2-one
CID 1478646
N-[(1R)-2-methyl-1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 95352258
1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 60632479

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one (CID 97065331) is 1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one is Cc1ccccc1[C@H](C)NC[C@@H](O)CN1CCCC1=O.
What is the InChIKey of 1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one?
The InChIKey is NVHDEYIQPJKXHY-UONOGXRCSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-3-4-7-15(12)13(2)17-10-14(19)11-18-9-5-8-16(18)20/h3-4,6-7,13-14,17,19H,5,8-11H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one?
1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 97065331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).