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

C14H25NO3 — CID 69287146

IUPAC(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
SMILESCCCCCCCCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-6-7-10-13(16)15-11-8-9-12(15)14(17)18/h12H,2-11H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyNGKMULQQEFQOCM-GFCCVEGCSA-N
MW255.36 g/mol
LogP2.81
Rot. Bonds8

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

(2R)-1-nonanoylpyrrolidine-2-carboxylic acid (PubChem CID 69287146) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2R)-1-nonanoylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
PubChem CID69287146
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
SMILESCCCCCCCCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-6-7-10-13(16)15-11-8-9-12(15)14(17)18/h12H,2-11H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyNGKMULQQEFQOCM-GFCCVEGCSA-N
XLogP2.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.81
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

CID 160598111
CID 160598111
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
1-[1-(1-dodecanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 78064271
1-decanoylazepane-2-carboxylic acid
CID 64558604
(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
potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate
CID 177344572
methyl (2S)-1-hexadecanoylpyrrolidine-2-carboxylate
CID 129080008
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183

Frequently Asked Questions

What is the IUPAC name of (2R)-1-nonanoylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-nonanoylpyrrolidine-2-carboxylic acid (CID 69287146) is (2R)-1-nonanoylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-nonanoylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-nonanoylpyrrolidine-2-carboxylic acid is CCCCCCCCC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-nonanoylpyrrolidine-2-carboxylic acid?
The InChIKey is NGKMULQQEFQOCM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-10-13(16)15-11-8-9-12(15)14(17)18/h12H,2-11H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-1-nonanoylpyrrolidine-2-carboxylic acid?
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-nonanoylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69287146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).