2-(2-oxopyrrolidin-1-yl)dodecanoic acid

C16H29NO3 — CID 57060081

IUPAC2-(2-oxopyrrolidin-1-yl)dodecanoic acid
SMILESCCCCCCCCCCC(C(=O)O)N1CCCC1=O
InChIInChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-11-14(16(19)20)17-13-10-12-15(17)18/h14H,2-13H2,1H3,(H,19,20)
InChIKeySPHKBNAMVUIQEL-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.59
Rot. Bonds11

About 2-(2-oxopyrrolidin-1-yl)dodecanoic acid

2-(2-oxopyrrolidin-1-yl)dodecanoic acid (PubChem CID 57060081) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)dodecanoic acid.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)dodecanoic acid
PubChem CID57060081
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-(2-oxopyrrolidin-1-yl)dodecanoic acid
SMILESCCCCCCCCCCC(C(=O)O)N1CCCC1=O
InChIInChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-11-14(16(19)20)17-13-10-12-15(17)18/h14H,2-13H2,1H3,(H,19,20)
InChIKeySPHKBNAMVUIQEL-UHFFFAOYSA-N
XLogP3.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.59
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

propan-2-yl 2-(2-oxopyrrolidin-1-yl)tetradecanoate
CID 70443541
1-decan-3-ylpyrrolidin-2-one
CID 175032444
2-(4-hydroxy-2-oxopyrrolidin-1-yl)octanoic acid
CID 168701551
butyl 2-(2-oxopyrrolidin-1-yl)butanoate
CID 142211549
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]octanoic acid
CID 168506628
2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]octanoic acid
CID 168669302
1-[1-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)hexan-2-yl]pyrrolidin-2-one
CID 122202592
amino 2-(2-oxopyrrolidin-1-yl)pentanoate
CID 90161932
2-piperidin-1-ylheptanoic acid
CID 43803843
2-(1-decoxy-1-oxopropan-2-yl)-4-(2-oxopyrrolidin-1-yl)pentanoic acid
CID 167676890
2-(3-methylidene-2-oxopiperidin-1-yl)pentanoic acid
CID 12698988
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)dodecanoic acid?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)dodecanoic acid (CID 57060081) is 2-(2-oxopyrrolidin-1-yl)dodecanoic acid.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)dodecanoic acid?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)dodecanoic acid is CCCCCCCCCCC(C(=O)O)N1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)dodecanoic acid?
The InChIKey is SPHKBNAMVUIQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-11-14(16(19)20)17-13-10-12-15(17)18/h14H,2-13H2,1H3,(H,19,20).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)dodecanoic acid?
2-(2-oxopyrrolidin-1-yl)dodecanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.59, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)dodecanoic acid is sourced from PubChem (CID 57060081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).