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

C16H29NO3 — CID 102411340

IUPAC(2S)-1-[(2R)-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+/m1/s1
InChIKeyHSLFSTFEVGMTFF-KGLIPLIRSA-N
MW283.41 g/mol
LogP3.45
Rot. Bonds9

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

(2S)-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 102411340) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid
PubChem CID102411340
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name(2S)-1-[(2R)-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+/m1/s1
InChIKeyHSLFSTFEVGMTFF-KGLIPLIRSA-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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Related Compounds

1-(2-methylhexanoyl)azocane-2-carboxylic acid
CID 114246096
(2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylic acid
CID 78922033
1-[3-[2-[[3-(2-carboxypyrrolidin-1-yl)-2-methyl-3-oxopropyl]disulfanyl]nonyldisulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
CID 163263934
1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16781860
1-[3-[3-[[3-(2-carboxypyrrolidin-1-yl)-2-methyl-3-oxopropyl]disulfanyl]nonyldisulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
CID 167189661
(2S)-1-[(2S)-2-[(9-amino-1-ethoxy-1-oxononan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 70054474
(2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid
CID 78921934
N'-hydroxy-1-(2-methylhexanoyl)pyrrolidine-2-carboximidamide
CID 114246956
(2S)-1-[(2S)-2-[[(1R)-10-amino-1-carboxydecyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 15927715
(2S)-1-[2-[[1-ethoxy-3-[(2R)-1-ethoxy-1-oxononan-2-yl]sulfanyl-1-oxopropan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 70446152
(2S,3S)-2-methyl-1-(2-methylhexanoyl)piperidine-3-carboxylic acid
CID 122116642
1-octan-2-ylpyrrolidine-2-carboxylic acid
CID 65056476

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid (CID 102411340) is (2S)-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2R)-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-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HSLFSTFEVGMTFF-KGLIPLIRSA-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+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2R)-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-[(2R)-2-methyldecanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102411340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).