1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid

C16H18ClNO3 — CID 168691319

IUPAC1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CC2(c3ccc(Cl)cc3)CCC2)C1
InChIInChI=1S/C16H18ClNO3/c17-13-4-2-12(3-5-13)16(6-1-7-16)10-18-9-11(15(20)21)8-14(18)19/h2-5,11H,1,6-10H2,(H,20,21)
InChIKeyKLBHITVVODDVND-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.69
Rot. Bonds4

About 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid

1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691319) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691319
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CC2(c3ccc(Cl)cc3)CCC2)C1
InChIInChI=1S/C16H18ClNO3/c17-13-4-2-12(3-5-13)16(6-1-7-16)10-18-9-11(15(20)21)8-14(18)19/h2-5,11H,1,6-10H2,(H,20,21)
InChIKeyKLBHITVVODDVND-UHFFFAOYSA-N
XLogP2.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2739200
4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one
CID 168508185
[1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681858
4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
CID 168508191
1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691364
4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
CID 168685186
4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one
CID 168662991
4-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-1-[(4-chlorophenyl)methyl]pyrrolidin-2-one
CID 42656101
(3R)-1-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 94471729
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375
[(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51505536
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid (CID 168691319) is 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(CC2(c3ccc(Cl)cc3)CCC2)C1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is KLBHITVVODDVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c17-13-4-2-12(3-5-13)16(6-1-7-16)10-18-9-11(15(20)21)8-14(18)19/h2-5,11H,1,6-10H2,(H,20,21).
What are the key properties of 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 307.78 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).