5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid

C14H24N2O3 — CID 168690563

IUPAC5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCCN1CCC(CN2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C14H24N2O3/c1-2-5-15-6-3-11(4-7-15)9-16-10-12(14(18)19)8-13(16)17/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyAMBLDNVOHMHNJH-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.04
Rot. Bonds5

About 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 168690563) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID168690563
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCCN1CCC(CN2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C14H24N2O3/c1-2-5-15-6-3-11(4-7-15)9-16-10-12(14(18)19)8-13(16)17/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyAMBLDNVOHMHNJH-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate
CID 168693086
4-(chloromethyl)-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 168507094
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
5-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-3-carboxylic acid
CID 168691313
4-chloro-1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 168688520
(3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
CID 29136485
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid
CID 62303211
1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690445
1-[(2-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 55013515
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353286

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid (CID 168690563) is 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid is CCCN1CCC(CN2CC(C(=O)O)CC2=O)CC1.
What is the InChIKey of 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AMBLDNVOHMHNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-5-15-6-3-11(4-7-15)9-16-10-12(14(18)19)8-13(16)17/h11-12H,2-10H2,1H3,(H,18,19).
What are the key properties of 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).