(2R)-1-nonanoylpiperidine-2-carboxylic acid

C15H27NO3 — CID 69288124

IUPAC(2R)-1-nonanoylpiperidine-2-carboxylic acid
SMILESCCCCCCCCC(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C15H27NO3/c1-2-3-4-5-6-7-11-14(17)16-12-9-8-10-13(16)15(18)19/h13H,2-12H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeySAIZMDUFKOGILT-CYBMUJFWSA-N
MW269.38 g/mol
LogP3.20
Rot. Bonds8

About (2R)-1-nonanoylpiperidine-2-carboxylic acid

(2R)-1-nonanoylpiperidine-2-carboxylic acid (PubChem CID 69288124) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (2R)-1-nonanoylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-nonanoylpiperidine-2-carboxylic acid
PubChem CID69288124
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(2R)-1-nonanoylpiperidine-2-carboxylic acid
SMILESCCCCCCCCC(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C15H27NO3/c1-2-3-4-5-6-7-11-14(17)16-12-9-8-10-13(16)15(18)19/h13H,2-12H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeySAIZMDUFKOGILT-CYBMUJFWSA-N
XLogP3.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-decanoylazepane-2-carboxylic acid
CID 64558604
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
CID 160598111
CID 160598111
1-[1-(1-dodecanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 78064271
(2S)-1-[(Z)-octadec-9-enoyl]pyrrolidine-2-carboxylic acid
CID 52922068
(2S)-1-octadec-9-enoylpyrrolidine-2-carboxylic acid
CID 54443907
(2S)-1-(14-deuteriotetradecanoyl)pyrrolidine-2-carboxylic acid
CID 139795188
(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]pyrrolidine-2-carboxylic acid
CID 71587491
(2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine
CID 172840576
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984
1-(6-acetamidohexanoyl)azepane-2-carboxylic acid
CID 64559922
(2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
CID 66263294

Frequently Asked Questions

What is the IUPAC name of (2R)-1-nonanoylpiperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-nonanoylpiperidine-2-carboxylic acid (CID 69288124) is (2R)-1-nonanoylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-nonanoylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-nonanoylpiperidine-2-carboxylic acid is CCCCCCCCC(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-nonanoylpiperidine-2-carboxylic acid?
The InChIKey is SAIZMDUFKOGILT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-3-4-5-6-7-11-14(17)16-12-9-8-10-13(16)15(18)19/h13H,2-12H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-1-nonanoylpiperidine-2-carboxylic acid?
(2R)-1-nonanoylpiperidine-2-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-nonanoylpiperidine-2-carboxylic acid is sourced from PubChem (CID 69288124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).