(2S)-1-decyl-4-hydroxypyrrolidine-2-carboxylic acid

C15H29NO3 — CID 70292914

IUPAC(2S)-1-decyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCN1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-16-12-13(17)11-14(16)15(18)19/h13-14,17H,2-12H2,1H3,(H,18,19)/t13?,14-/m0/s1
InChIKeyXBCGWWQLHODWNX-KZUDCZAMSA-N
MW271.40 g/mol
LogP2.65
Rot. Bonds10

About (2S)-1-decyl-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-decyl-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 70292914) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is (2S)-1-decyl-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-decyl-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID70292914
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name(2S)-1-decyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCN1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-16-12-13(17)11-14(16)15(18)19/h13-14,17H,2-12H2,1H3,(H,18,19)/t13?,14-/m0/s1
InChIKeyXBCGWWQLHODWNX-KZUDCZAMSA-N
XLogP2.65
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-decyl-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-decyl-4-hydroxypyrrolidine-2-carboxylic acid (CID 70292914) is (2S)-1-decyl-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-decyl-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-decyl-4-hydroxypyrrolidine-2-carboxylic acid is CCCCCCCCCCN1CC(O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-decyl-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is XBCGWWQLHODWNX-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-16-12-13(17)11-14(16)15(18)19/h13-14,17H,2-12H2,1H3,(H,18,19)/t13?,14-/m0/s1.
What are the key properties of (2S)-1-decyl-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-decyl-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 271.40 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-decyl-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70292914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).