(2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid

C17H33NO4 — CID 146015084

IUPAC(2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCCC(O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C17H33NO4/c1-2-3-4-5-6-7-8-9-10-11-16(20)18-13-14(19)12-15(18)17(21)22/h14-16,19-20H,2-13H2,1H3,(H,21,22)/t14-,15+,16?/m1/s1
InChIKeyBZNKHNFJILRVEG-YSPPHNQVSA-N
MW315.45 g/mol
LogP2.75
Rot. Bonds12

About (2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid (PubChem CID 146015084) has the molecular formula C17H33NO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid
PubChem CID146015084
Molecular FormulaC17H33NO4
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC Name(2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCCC(O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C17H33NO4/c1-2-3-4-5-6-7-8-9-10-11-16(20)18-13-14(19)12-15(18)17(21)22/h14-16,19-20H,2-13H2,1H3,(H,21,22)/t14-,15+,16?/m1/s1
InChIKeyBZNKHNFJILRVEG-YSPPHNQVSA-N
XLogP2.75
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-hexadecanoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 3925551
(2S)-4-hydroxy-1-icosanoylpyrrolidine-2-carboxylic acid
CID 57258190
1-docosanoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78122778
(2S,4R)-4-hydroxy-1-octadecanoylpyrrolidine-2-carboxylic acid;methanol
CID 175485111
(2R,4R)-1-(heptan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999501
(2S,4R)-1-butyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67718958
(2S,4S)-4-hydroxy-1-(6-oxo-6-pentadecan-7-yloxyhexyl)pyrrolidine-2-carboxylic acid
CID 170172557
(2S)-4-hydroxy-1-(6-oxo-6-tridecan-7-yloxyhexyl)pyrrolidine-2-carboxylic acid
CID 170165440
1-octan-2-ylpyrrolidine-2-carboxylic acid
CID 65056476
(2R,4R)-1-(hexan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999993
(2S)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61184805
(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 27339570

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid (CID 146015084) is (2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid is CCCCCCCCCCCC(O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BZNKHNFJILRVEG-YSPPHNQVSA-N. The full InChI is InChI=1S/C17H33NO4/c1-2-3-4-5-6-7-8-9-10-11-16(20)18-13-14(19)12-15(18)17(21)22/h14-16,19-20H,2-13H2,1H3,(H,21,22)/t14-,15+,16?/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid has a molecular weight of 315.45 g/mol, XLogP of 2.75, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(1-hydroxydodecyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 146015084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).