1-[1-[(2R,5S)-1-(2-aminopropanoyl)-5-(3-chlorophenyl)pyrrolidin-2-yl]ethyl]pyrrolidin-2-one

C19H26ClN3O2 — CID 138487607

IUPAC1-[1-[(2R,5S)-1-(2-aminopropanoyl)-5-(3-chlorophenyl)pyrrolidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCC(N)C(=O)N1[C@@H](C(C)N2CCCC2=O)CC[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C19H26ClN3O2/c1-12(21)19(25)23-16(13(2)22-10-4-7-18(22)24)8-9-17(23)14-5-3-6-15(20)11-14/h3,5-6,11-13,16-17H,4,7-10,21H2,1-2H3/t12?,13?,16-,17+/m1/s1
InChIKeyIGYHNWOYONFCQE-YCUKKYJWSA-N
MW363.89 g/mol
LogP2.73
Rot. Bonds4

About 1-[1-[(2R,5S)-1-(2-aminopropanoyl)-5-(3-chlorophenyl)pyrrolidin-2-yl]ethyl]pyrrolidin-2-one

1-[1-[(2R,5S)-1-(2-aminopropanoyl)-5-(3-chlorophenyl)pyrrolidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 138487607) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 1-[1-[(2R,5S)-1-(2-aminopropanoyl)-5-(3-chlorophenyl)pyrrolidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2R,5S)-1-(2-aminopropanoyl)-5-(3-chlorophenyl)pyrrolidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID138487607
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name1-[1-[(2R,5S)-1-(2-aminopropanoyl)-5-(3-chlorophenyl)pyrrolidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCC(N)C(=O)N1[C@@H](C(C)N2CCCC2=O)CC[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C19H26ClN3O2/c1-12(21)19(25)23-16(13(2)22-10-4-7-18(22)24)8-9-17(23)14-5-3-6-15(20)11-14/h3,5-6,11-13,16-17H,4,7-10,21H2,1-2H3/t12?,13?,16-,17+/m1/s1
InChIKeyIGYHNWOYONFCQE-YCUKKYJWSA-N
XLogP2.73
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S,5S)-1-[(2R)-2-aminopropanoyl]-5-(3-chlorophenyl)pyrrolidin-2-yl]-2-methylpropanenitrile
CID 134199879
(2R)-2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]propan-1-one;2-methylpropanenitrile
CID 145446747
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 54872576
3-amino-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-4-oxobutanamide
CID 60947054
(8aS)-3-(3-chlorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 175408637
(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 119288516
(2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119278856
(2S,3R)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
CID 95358886
(2S,5R)-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyrrolidine-1-carboxylic acid
CID 138487442
2-[(2S,5S)-5-(3-chlorophenyl)-1-[2-(1,3-dioxoisoindol-2-yl)propanoyl]pyrrolidin-2-yl]-2-methylpropanenitrile
CID 138487630
3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 106112107
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]methanone
CID 125151836

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2R,5S)-1-(2-aminopropanoyl)-5-(3-chlorophenyl)pyrrolidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(2R,5S)-1-(2-aminopropanoyl)-5-(3-chlorophenyl)pyrrolidin-2-yl]ethyl]pyrrolidin-2-one (CID 138487607) is 1-[1-[(2R,5S)-1-(2-aminopropanoyl)-5-(3-chlorophenyl)pyrrolidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(2R,5S)-1-(2-aminopropanoyl)-5-(3-chlorophenyl)pyrrolidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(2R,5S)-1-(2-aminopropanoyl)-5-(3-chlorophenyl)pyrrolidin-2-yl]ethyl]pyrrolidin-2-one is CC(N)C(=O)N1[C@@H](C(C)N2CCCC2=O)CC[C@H]1c1cccc(Cl)c1.
What is the InChIKey of 1-[1-[(2R,5S)-1-(2-aminopropanoyl)-5-(3-chlorophenyl)pyrrolidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is IGYHNWOYONFCQE-YCUKKYJWSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-12(21)19(25)23-16(13(2)22-10-4-7-18(22)24)8-9-17(23)14-5-3-6-15(20)11-14/h3,5-6,11-13,16-17H,4,7-10,21H2,1-2H3/t12?,13?,16-,17+/m1/s1.
What are the key properties of 1-[1-[(2R,5S)-1-(2-aminopropanoyl)-5-(3-chlorophenyl)pyrrolidin-2-yl]ethyl]pyrrolidin-2-one?
1-[1-[(2R,5S)-1-(2-aminopropanoyl)-5-(3-chlorophenyl)pyrrolidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 363.89 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2R,5S)-1-(2-aminopropanoyl)-5-(3-chlorophenyl)pyrrolidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 138487607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).