(2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid

C16H29NO3 — CID 25111481

IUPAC(2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid
SMILESCCCCCCCC[C@H](C)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C16H29NO3/c1-3-4-5-6-7-8-10-13(2)15(18)17-12-9-11-14(17)16(19)20/h13-14H,3-12H2,1-2H3,(H,19,20)/t13-,14-/m0/s1
InChIKeyHSLFSTFEVGMTFF-KBPBESRZSA-N
MW283.41 g/mol
LogP3.45
Rot. Bonds9

About (2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 25111481) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid
PubChem CID25111481
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name(2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid
SMILESCCCCCCCC[C@H](C)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C16H29NO3/c1-3-4-5-6-7-8-10-13(2)15(18)17-12-9-11-14(17)16(19)20/h13-14H,3-12H2,1-2H3,(H,19,20)/t13-,14-/m0/s1
InChIKeyHSLFSTFEVGMTFF-KBPBESRZSA-N
XLogP3.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.45
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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid (CID 25111481) is (2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid is CCCCCCCC[C@H](C)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HSLFSTFEVGMTFF-KBPBESRZSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-4-5-6-7-8-10-13(2)15(18)17-12-9-11-14(17)16(19)20/h13-14H,3-12H2,1-2H3,(H,19,20)/t13-,14-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 283.41 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 25111481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).