2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid

C9H15NO2 — CID 19705453

IUPAC2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
SMILESC=C(C)N1CCC(CC(=O)O)C1
InChIInChI=1S/C9H15NO2/c1-7(2)10-4-3-8(6-10)5-9(11)12/h8H,1,3-6H2,2H3,(H,11,12)
InChIKeyLPBQTTMOFMPPSF-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.32
Rot. Bonds3

About 2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid

2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid (PubChem CID 19705453) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
PubChem CID19705453
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
SMILESC=C(C)N1CCC(CC(=O)O)C1
InChIInChI=1S/C9H15NO2/c1-7(2)10-4-3-8(6-10)5-9(11)12/h8H,1,3-6H2,2H3,(H,11,12)
InChIKeyLPBQTTMOFMPPSF-UHFFFAOYSA-N
XLogP1.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic 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-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
2-[1-(2-cyclopropylpropanoyl)pyrrolidin-3-yl]acetic acid
CID 83147525
2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 114798908
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 114538676
2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]acetic acid
CID 78980454
2-[1-(3-methylpentanoyl)pyrrolidin-3-yl]acetic acid
CID 114873775
2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid
CID 79811148
2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608327
2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 81099407

Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid (CID 19705453) is 2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid is C=C(C)N1CCC(CC(=O)O)C1.
What is the InChIKey of 2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid?
The InChIKey is LPBQTTMOFMPPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(2)10-4-3-8(6-10)5-9(11)12/h8H,1,3-6H2,2H3,(H,11,12).
What are the key properties of 2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid?
2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid has a molecular weight of 169.22 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 19705453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).