2-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]prop-2-enoic acid

C11H18N2O3 — CID 103262859

IUPAC2-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]prop-2-enoic acid
SMILESC=C(CNC(C)C(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-8(11(15)16)7-12-9(2)10(14)13-5-3-4-6-13/h9,12H,1,3-7H2,2H3,(H,15,16)
InChIKeyFKFLYGAVGZZMPC-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.23
Rot. Bonds5

About 2-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]prop-2-enoic acid

2-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]prop-2-enoic acid (PubChem CID 103262859) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]prop-2-enoic acid
PubChem CID103262859
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]prop-2-enoic acid
SMILESC=C(CNC(C)C(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-8(11(15)16)7-12-9(2)10(14)13-5-3-4-6-13/h9,12H,1,3-7H2,2H3,(H,15,16)
InChIKeyFKFLYGAVGZZMPC-UHFFFAOYSA-N
XLogP0.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]prop-2-enoic acid (CID 103262859) is 2-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]prop-2-enoic acid is C=C(CNC(C)C(=O)N1CCCC1)C(=O)O.
What is the InChIKey of 2-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]prop-2-enoic acid?
The InChIKey is FKFLYGAVGZZMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8(11(15)16)7-12-9(2)10(14)13-5-3-4-6-13/h9,12H,1,3-7H2,2H3,(H,15,16).
What are the key properties of 2-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]prop-2-enoic acid?
2-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]prop-2-enoic acid has a molecular weight of 226.28 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]prop-2-enoic acid is sourced from PubChem (CID 103262859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).