1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid

C13H24N2O3 — CID 61489667

IUPAC1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid
SMILESCCC(CC)NC(=O)CN1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-10(4-2)14-12(16)9-15-8-6-5-7-11(15)13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyDZARQLAZNNOMGT-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.23
Rot. Bonds6

About 1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid

1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid (PubChem CID 61489667) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid
PubChem CID61489667
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid
SMILESCCC(CC)NC(=O)CN1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-10(4-2)14-12(16)9-15-8-6-5-7-11(15)13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyDZARQLAZNNOMGT-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-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

1-[2-oxo-2-(pentan-2-ylamino)ethyl]azepane-2-carboxylic acid
CID 64564717
1-[2-oxo-2-(propylamino)ethyl]azepane-2-carboxylic acid
CID 64564538
(2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910676
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441026
1-[2-(methoxycarbonylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563347
1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64562960
1-[2-(2-acetamidoethylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564329
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]azepane-2-carboxylic acid
CID 64563925
(2S)-1-(pentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61187396
1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
CID 82406232
CID 66737893
CID 66737893

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid (CID 61489667) is 1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid is CCC(CC)NC(=O)CN1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid?
The InChIKey is DZARQLAZNNOMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-10(4-2)14-12(16)9-15-8-6-5-7-11(15)13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid?
1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(pentan-3-ylamino)ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 61489667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).