1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid

C14H24N2O3 — CID 117005579

IUPAC1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)CN1CCCC(N2CC(C(=O)O)CC2=O)C1
InChIInChI=1S/C14H24N2O3/c1-10(2)7-15-5-3-4-12(9-15)16-8-11(14(18)19)6-13(16)17/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeySXMKAMZGRUQSHQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.04
Rot. Bonds4

About 1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid

1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 117005579) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID117005579
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)CN1CCCC(N2CC(C(=O)O)CC2=O)C1
InChIInChI=1S/C14H24N2O3/c1-10(2)7-15-5-3-4-12(9-15)16-8-11(14(18)19)6-13(16)17/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeySXMKAMZGRUQSHQ-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one
CID 117005709
1-(3-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690108
(3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95591973
1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 110687444
N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119585859
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190271
1-(1,1-dioxothian-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 43614759
N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119597802
1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid
CID 117005840
(4S)-1-cyclopentyl-4-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 95201095
1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
CID 44827692
(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 6942092

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid (CID 117005579) is 1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid is CC(C)CN1CCCC(N2CC(C(=O)O)CC2=O)C1.
What is the InChIKey of 1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is SXMKAMZGRUQSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)7-15-5-3-4-12(9-15)16-8-11(14(18)19)6-13(16)17/h10-12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid?
1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117005579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).