2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid

C15H26N2O3 — CID 82326930

IUPAC2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid
SMILESC=CCN(CC(=O)N1CCC(C)CC1)CC(C)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-4-7-16(10-13(3)15(19)20)11-14(18)17-8-5-12(2)6-9-17/h4,12-13H,1,5-11H2,2-3H3,(H,19,20)
InChIKeyKVVRQGYUVJHDAL-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.45
Rot. Bonds7

About 2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid

2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid (PubChem CID 82326930) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid
PubChem CID82326930
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid
SMILESC=CCN(CC(=O)N1CCC(C)CC1)CC(C)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-4-7-16(10-13(3)15(19)20)11-14(18)17-8-5-12(2)6-9-17/h4,12-13H,1,5-11H2,2-3H3,(H,19,20)
InChIKeyKVVRQGYUVJHDAL-UHFFFAOYSA-N
XLogP1.45
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 43385793
1-[2-[Ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 43385804
1-[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385882
3-[4-[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 43522393
3-[4-[2-[Ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 43522416
3-[Ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 54899890
2-Methyl-3-[methyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007351
3-[[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 55007604
3-[[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 55007694
2-Methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007747
2-Methyl-3-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 55007831
3-[Tert-butyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 60833359

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid (CID 82326930) is 2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid is C=CCN(CC(=O)N1CCC(C)CC1)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid?
The InChIKey is KVVRQGYUVJHDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-7-16(10-13(3)15(19)20)11-14(18)17-8-5-12(2)6-9-17/h4,12-13H,1,5-11H2,2-3H3,(H,19,20).
What are the key properties of 2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid?
2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid is sourced from PubChem (CID 82326930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).