2-(3-decan-2-yl-2-oxopyrrolidin-1-yl)acetic acid

C16H29NO3 — CID 19895324

IUPAC2-(3-decan-2-yl-2-oxopyrrolidin-1-yl)acetic acid
SMILESCCCCCCCCC(C)C1CCN(CC(=O)O)C1=O
InChIInChI=1S/C16H29NO3/c1-3-4-5-6-7-8-9-13(2)14-10-11-17(16(14)20)12-15(18)19/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyRMSYYAZSLDGYAR-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.31
Rot. Bonds10

About 2-(3-decan-2-yl-2-oxopyrrolidin-1-yl)acetic acid

2-(3-decan-2-yl-2-oxopyrrolidin-1-yl)acetic acid (PubChem CID 19895324) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(3-decan-2-yl-2-oxopyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-decan-2-yl-2-oxopyrrolidin-1-yl)acetic acid
PubChem CID19895324
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-(3-decan-2-yl-2-oxopyrrolidin-1-yl)acetic acid
SMILESCCCCCCCCC(C)C1CCN(CC(=O)O)C1=O
InChIInChI=1S/C16H29NO3/c1-3-4-5-6-7-8-9-13(2)14-10-11-17(16(14)20)12-15(18)19/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyRMSYYAZSLDGYAR-UHFFFAOYSA-N
XLogP3.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.31
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-decan-2-yl-2-oxopyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(3-decan-2-yl-2-oxopyrrolidin-1-yl)acetic acid (CID 19895324) is 2-(3-decan-2-yl-2-oxopyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-decan-2-yl-2-oxopyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-decan-2-yl-2-oxopyrrolidin-1-yl)acetic acid is CCCCCCCCC(C)C1CCN(CC(=O)O)C1=O.
What is the InChIKey of 2-(3-decan-2-yl-2-oxopyrrolidin-1-yl)acetic acid?
The InChIKey is RMSYYAZSLDGYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-4-5-6-7-8-9-13(2)14-10-11-17(16(14)20)12-15(18)19/h13-14H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-decan-2-yl-2-oxopyrrolidin-1-yl)acetic acid?
2-(3-decan-2-yl-2-oxopyrrolidin-1-yl)acetic acid has a molecular weight of 283.41 g/mol, XLogP of 3.31, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-decan-2-yl-2-oxopyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 19895324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).