3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid

C15H26N2O3 — CID 65265337

IUPAC3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid
SMILESC=CCN(CC=C)C(=O)CNC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-7-9-17(10-8-2)12(18)11-16-15(5,6)14(3,4)13(19)20/h7-8,16H,1-2,9-11H2,3-6H3,(H,19,20)
InChIKeyLWZGCLZBZVICRT-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.67
Rot. Bonds9

About 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid

3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65265337) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid
PubChem CID65265337
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid
SMILESC=CCN(CC=C)C(=O)CNC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-7-9-17(10-8-2)12(18)11-16-15(5,6)14(3,4)13(19)20/h7-8,16H,1-2,9-11H2,3-6H3,(H,19,20)
InChIKeyLWZGCLZBZVICRT-UHFFFAOYSA-N
XLogP1.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2,2,3-trimethyl-3-[[2-(prop-2-enoylamino)acetyl]amino]butanoate
CID 129120073
2,2,3-Trimethyl-3-[[2-(prop-2-enoylamino)acetyl]amino]butanoic acid
CID 129120074
(3S)-2,2-dimethyl-3-[[2-(prop-2-enoylamino)acetyl]amino]butanoic acid
CID 129120104
1-[[[2-(2,5-Dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 145215722
3-[[1-Oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoic acid
CID 43466742
2-[[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468415
3-[Tert-butyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
CID 54925905
3-[Tert-butyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoic acid
CID 60834297
3-[[1-Oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]propanoic acid
CID 60840164
3-[[2-Oxo-2-(prop-2-enylamino)ethyl]-propan-2-ylamino]propanoic acid
CID 60840668
3-[Methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
CID 60986542
3-[Methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoic acid
CID 60987130

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid (CID 65265337) is 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid is C=CCN(CC=C)C(=O)CNC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is LWZGCLZBZVICRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-7-9-17(10-8-2)12(18)11-16-15(5,6)14(3,4)13(19)20/h7-8,16H,1-2,9-11H2,3-6H3,(H,19,20).
What are the key properties of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid?
3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65265337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).