1-decyl-2-hydroxypyrrolidine-2-carboxylic acid

C15H29NO3 — CID 66691415

IUPAC1-decyl-2-hydroxypyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCN1CCCC1(O)C(=O)O
InChIInChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-12-16-13-10-11-15(16,19)14(17)18/h19H,2-13H2,1H3,(H,17,18)
InChIKeyHVBWNYDNHYHHKA-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.00
Rot. Bonds10

About 1-decyl-2-hydroxypyrrolidine-2-carboxylic acid

1-decyl-2-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 66691415) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-decyl-2-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-decyl-2-hydroxypyrrolidine-2-carboxylic acid
PubChem CID66691415
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name1-decyl-2-hydroxypyrrolidine-2-carboxylic acid
SMILESCCCCCCCCCCN1CCCC1(O)C(=O)O
InChIInChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-12-16-13-10-11-15(16,19)14(17)18/h19H,2-13H2,1H3,(H,17,18)
InChIKeyHVBWNYDNHYHHKA-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
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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Related Compounds

2-ethyl-1-octylpyrrolidine-2-carboxylic acid
CID 83079650
1-decyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83080199
(2S)-2-methoxycarbonyl-1-pentylpyrrolidine-2-carboxylic acid
CID 174784568
(2-phosphono-1-tetradecylpyrrolidin-2-yl)phosphonic acid
CID 57066327
2-hexyl-1-methylpyrrolidine-2-carboxylic acid
CID 68621509
3-ethyl-1-nonylpiperidine-3-carboxylic acid
CID 63137490
(2R)-1-butyl-2-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylic acid
CID 163255464
1-heptyl-4-methylpiperidine-4-carboxylic acid
CID 55176415
1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83080806
acetic acid;1-dodecylpyrrolidine
CID 175583827
6-decyl-6,9-diazaspiro[4.5]decane
CID 64844428
3-amino-1-octylpyrrolidine-3-carboxylic acid
CID 107321089

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-decyl-2-hydroxypyrrolidine-2-carboxylic acid (CID 66691415) is 1-decyl-2-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-decyl-2-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-decyl-2-hydroxypyrrolidine-2-carboxylic acid is CCCCCCCCCCN1CCCC1(O)C(=O)O.
What is the InChIKey of 1-decyl-2-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is HVBWNYDNHYHHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-12-16-13-10-11-15(16,19)14(17)18/h19H,2-13H2,1H3,(H,17,18).
What are the key properties of 1-decyl-2-hydroxypyrrolidine-2-carboxylic acid?
1-decyl-2-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 271.40 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66691415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).