2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid

C14H23N3O3 — CID 79284954

IUPAC2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H23N3O3/c1-2-6-16(11-13(18)19)14(20)17-9-5-12(10-17)15-7-3-4-8-15/h2,12H,1,3-11H2,(H,18,19)
InChIKeyRVAMIKOFVUBEOX-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.85
Rot. Bonds5

About 2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid

2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid (PubChem CID 79284954) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid
PubChem CID79284954
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H23N3O3/c1-2-6-16(11-13(18)19)14(20)17-9-5-12(10-17)15-7-3-4-8-15/h2,12H,1,3-11H2,(H,18,19)
InChIKeyRVAMIKOFVUBEOX-UHFFFAOYSA-N
XLogP0.85
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid (CID 79284954) is 2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid?
The InChIKey is RVAMIKOFVUBEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-6-16(11-13(18)19)14(20)17-9-5-12(10-17)15-7-3-4-8-15/h2,12H,1,3-11H2,(H,18,19).
What are the key properties of 2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid?
2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid has a molecular weight of 281.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 79284954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).