2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid

C11H17NO4 — CID 174585255

IUPAC2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid
SMILESC=C(C)C(=O)OC(CN1CCCC1)C(=O)O
InChIInChI=1S/C11H17NO4/c1-8(2)11(15)16-9(10(13)14)7-12-5-3-4-6-12/h9H,1,3-7H2,2H3,(H,13,14)
InChIKeyRQGBGSAOQSJLDD-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.65
Rot. Bonds5

About 2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid

2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid (PubChem CID 174585255) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid
PubChem CID174585255
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid
SMILESC=C(C)C(=O)OC(CN1CCCC1)C(=O)O
InChIInChI=1S/C11H17NO4/c1-8(2)11(15)16-9(10(13)14)7-12-5-3-4-6-12/h9H,1,3-7H2,2H3,(H,13,14)
InChIKeyRQGBGSAOQSJLDD-UHFFFAOYSA-N
XLogP0.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylprop-2-enoyloxy)-4-oxopentanoic acid
CID 174633103
3-chloro-2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174387747
2-ethoxy-3-piperidin-1-ylpropanoic acid
CID 63068223
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
2-methoxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 106110143
dilithium;2-(2-methylprop-2-enoyloxy)butanedioate
CID 122611626
2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid
CID 63073024
3-(azocan-1-yl)-2-hydroxypropanoic acid
CID 130593606
methanol;2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174868597
oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine
CID 88639332
2-methylprop-2-enoic acid;2-piperidin-1-ylacetic acid
CID 174941495

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid (CID 174585255) is 2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid is C=C(C)C(=O)OC(CN1CCCC1)C(=O)O.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid?
The InChIKey is RQGBGSAOQSJLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8(2)11(15)16-9(10(13)14)7-12-5-3-4-6-12/h9H,1,3-7H2,2H3,(H,13,14).
What are the key properties of 2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid?
2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid has a molecular weight of 227.26 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)-3-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 174585255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).