3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid

C13H24N2O3 — CID 61009237

IUPAC3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESC=C(C)CN(CC)C(=O)CN(CC)CCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-5-14(8-7-13(17)18)10-12(16)15(6-2)9-11(3)4/h3,5-10H2,1-2,4H3,(H,17,18)
InChIKeyOJHXJGIMOILMNW-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.21
Rot. Bonds9

About 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid

3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 61009237) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID61009237
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESC=C(C)CN(CC)C(=O)CN(CC)CCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-5-14(8-7-13(17)18)10-12(16)15(6-2)9-11(3)4/h3,5-10H2,1-2,4H3,(H,17,18)
InChIKeyOJHXJGIMOILMNW-UHFFFAOYSA-N
XLogP1.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.21
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

3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid
CID 82329754
3-[carboxymethyl(2-methylprop-2-enyl)amino]propanoic acid
CID 82329721
2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442339
2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
CID 43656730
3-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61184887
3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327106
2-[ethyl(2-methylprop-2-enyl)amino]acetic acid
CID 60712574
3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007980
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 107485089
2-(diethylamino)-N,N-diethylacetamide
CID 13352066
2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 106511560
1-(diethylamino)-5-methylhex-5-en-3-one
CID 79180161

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid (CID 61009237) is 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid is C=C(C)CN(CC)C(=O)CN(CC)CCC(=O)O.
What is the InChIKey of 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is OJHXJGIMOILMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-14(8-7-13(17)18)10-12(16)15(6-2)9-11(3)4/h3,5-10H2,1-2,4H3,(H,17,18).
What are the key properties of 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 61009237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).