(2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid

C13H24N2O3 — CID 151096109

IUPAC(2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid
SMILESCCCCCC[C@@H](C(=O)O)C(=O)[C@H]1CNCCN1
InChIInChI=1S/C13H24N2O3/c1-2-3-4-5-6-10(13(17)18)12(16)11-9-14-7-8-15-11/h10-11,14-15H,2-9H2,1H3,(H,17,18)/t10-,11-/m1/s1
InChIKeyMNDJPBYLWLGYBZ-GHMZBOCLSA-N
MW256.35 g/mol
LogP0.79
Rot. Bonds8

About (2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid

(2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid (PubChem CID 151096109) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid
PubChem CID151096109
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid
SMILESCCCCCC[C@@H](C(=O)O)C(=O)[C@H]1CNCCN1
InChIInChI=1S/C13H24N2O3/c1-2-3-4-5-6-10(13(17)18)12(16)11-9-14-7-8-15-11/h10-11,14-15H,2-9H2,1H3,(H,17,18)/t10-,11-/m1/s1
InChIKeyMNDJPBYLWLGYBZ-GHMZBOCLSA-N
XLogP0.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2R)-2-[(2R)-piperazine-2-carbonyl]octanoic 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

calcium;2-dodecylpropanedioic acid;hydride
CID 174967778
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
pentyl piperazine-2-carboxylate
CID 173092252
(3S)-N-phenylmethoxy-3-[(2S)-piperazine-2-carbonyl]octanamide
CID 151633612
N-pentyl-N-propan-2-ylpiperazine-2-carboxamide
CID 63103637
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
(2R)-2-(piperidin-3-ylamino)decanoic acid
CID 160838910
2-(1-piperazin-2-ylhexyl)piperazine
CID 21396915
2-decylpropanedioic acid;ethane-1,2-diol
CID 174702974
2-(8-nonyl-9-octyloctadecyl)propanedioic acid
CID 142769459

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid?
The IUPAC name of (2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid (CID 151096109) is (2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid.
What is the SMILES notation for (2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid?
The canonical SMILES for (2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid is CCCCCC[C@@H](C(=O)O)C(=O)[C@H]1CNCCN1.
What is the InChIKey of (2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid?
The InChIKey is MNDJPBYLWLGYBZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-3-4-5-6-10(13(17)18)12(16)11-9-14-7-8-15-11/h10-11,14-15H,2-9H2,1H3,(H,17,18)/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid?
(2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid is sourced from PubChem (CID 151096109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).