CID 160598111

C11H19NNaO3 — CID 160598111

IUPAC—
SMILESCCCCCC(=O)N1CCC[C@H]1C(=O)O.[Na]
InChIInChI=1S/C11H19NO3.Na/c1-2-3-4-7-10(13)12-8-5-6-9(12)11(14)15;/h9H,2-8H2,1H3,(H,14,15);/t9-;/m0./s1
InChIKeyRDXHEXAGPXEAIP-FVGYRXGTSA-N
MW236.27 g/mol
LogP1.26
Rot. Bonds5

About CID 160598111

CID 160598111 (PubChem CID 160598111) has the molecular formula C11H19NNaO3 and a molecular weight of 236.27 g/mol.

Molecular Properties

Compound NameCID 160598111
PubChem CID160598111
Molecular FormulaC11H19NNaO3
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name—
SMILESCCCCCC(=O)N1CCC[C@H]1C(=O)O.[Na]
InChIInChI=1S/C11H19NO3.Na/c1-2-3-4-7-10(13)12-8-5-6-9(12)11(14)15;/h9H,2-8H2,1H3,(H,14,15);/t9-;/m0./s1
InChIKeyRDXHEXAGPXEAIP-FVGYRXGTSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.26
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

(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
(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
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183
(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 15384175
potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate
CID 177344572
methyl (2S)-1-hexadecanoylpyrrolidine-2-carboxylate
CID 129080008

Frequently Asked Questions

What is the IUPAC name of CID 160598111?
The IUPAC name of CID 160598111 (CID 160598111) is not available.
What is the SMILES notation for CID 160598111?
The canonical SMILES for CID 160598111 is CCCCCC(=O)N1CCC[C@H]1C(=O)O.[Na].
What is the InChIKey of CID 160598111?
The InChIKey is RDXHEXAGPXEAIP-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H19NO3.Na/c1-2-3-4-7-10(13)12-8-5-6-9(12)11(14)15;/h9H,2-8H2,1H3,(H,14,15);/t9-;/m0./s1.
What are the key properties of CID 160598111?
CID 160598111 has a molecular weight of 236.27 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160598111 is sourced from PubChem (CID 160598111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).