2-(1-but-2-enoylpyrrolidin-2-yl)acetic acid

C10H15NO3 — CID 61372810

IUPAC2-(1-but-2-enoylpyrrolidin-2-yl)acetic acid
SMILESCC=CC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C10H15NO3/c1-2-4-9(12)11-6-3-5-8(11)7-10(13)14/h2,4,8H,3,5-7H2,1H3,(H,13,14)
InChIKeyWUKIEMVONUGRJN-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.03
Rot. Bonds3

About 2-(1-but-2-enoylpyrrolidin-2-yl)acetic acid

2-(1-but-2-enoylpyrrolidin-2-yl)acetic acid (PubChem CID 61372810) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(1-but-2-enoylpyrrolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-but-2-enoylpyrrolidin-2-yl)acetic acid
PubChem CID61372810
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(1-but-2-enoylpyrrolidin-2-yl)acetic acid
SMILESCC=CC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C10H15NO3/c1-2-4-9(12)11-6-3-5-8(11)7-10(13)14/h2,4,8H,3,5-7H2,1H3,(H,13,14)
InChIKeyWUKIEMVONUGRJN-UHFFFAOYSA-N
XLogP1.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-Maleimidohexanoic acid
CID 573683
(s)-1-Acryloyl-2-carboxymethylpyrrolidine
CID 93836031
4-(2,5-Dioxopyrrol-1-yl)hexanoic acid
CID 57065586
2-[(2S)-1-pent-4-enoylpyrrolidin-2-yl]acetic acid
CID 57874034
3-(2,5-Dioxopyrrol-1-yl)hexanoic acid
CID 68508606
Methyl 2-(1-prop-2-enoylpyrrolidin-2-yl)acetate
CID 117733549
6-(5-oxo-2H-pyrrol-1-yl)hexanoic acid
CID 118448193
2-(5-Oxo-1-prop-2-enylpyrrolidin-2-yl)acetic acid
CID 123830416
2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetic acid
CID 145548441
6-(2,5-Dioxopyrrol-1-yl)hexanoyloxidanium
CID 153224784
6-(2,5-Dioxopyrrol-1-yl)heptanoic acid
CID 156695628
6-(2,5-Dioxopyrrol-1-yl)hexanoic acid;methane
CID 165051395

Frequently Asked Questions

What is the IUPAC name of 2-(1-but-2-enoylpyrrolidin-2-yl)acetic acid?
The IUPAC name of 2-(1-but-2-enoylpyrrolidin-2-yl)acetic acid (CID 61372810) is 2-(1-but-2-enoylpyrrolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-but-2-enoylpyrrolidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-but-2-enoylpyrrolidin-2-yl)acetic acid is CC=CC(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-(1-but-2-enoylpyrrolidin-2-yl)acetic acid?
The InChIKey is WUKIEMVONUGRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-4-9(12)11-6-3-5-8(11)7-10(13)14/h2,4,8H,3,5-7H2,1H3,(H,13,14).
What are the key properties of 2-(1-but-2-enoylpyrrolidin-2-yl)acetic acid?
2-(1-but-2-enoylpyrrolidin-2-yl)acetic acid has a molecular weight of 197.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-but-2-enoylpyrrolidin-2-yl)acetic acid is sourced from PubChem (CID 61372810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).