2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid

C15H28N2O3 — CID 79275630

IUPAC2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)CC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C15H28N2O3/c1-6-7-16(11-15(19)20)10-14(18)17(8-12(2)3)9-13(4)5/h6,12-13H,1,7-11H2,2-5H3,(H,19,20)
InChIKeyWKVXBQBWDAAHAQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.70
Rot. Bonds10

About 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid

2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid (PubChem CID 79275630) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid
PubChem CID79275630
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)CC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C15H28N2O3/c1-6-7-16(11-15(19)20)10-14(18)17(8-12(2)3)9-13(4)5/h6,12-13H,1,7-11H2,2-5H3,(H,19,20)
InChIKeyWKVXBQBWDAAHAQ-UHFFFAOYSA-N
XLogP1.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.70
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

2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63645438
2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276238
2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276660
2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid
CID 79277607
2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid
CID 106727614
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
2-[butyl(prop-2-enyl)amino]acetic acid
CID 79277573
2-[[methyl(3-methylbutyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276789
2-[[3-oxo-3-(propan-2-ylamino)propyl]-prop-2-enylamino]acetic acid
CID 79277550
2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276331
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
CID 60833387
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid (CID 79275630) is 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)CC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid?
The InChIKey is WKVXBQBWDAAHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-7-16(11-15(19)20)10-14(18)17(8-12(2)3)9-13(4)5/h6,12-13H,1,7-11H2,2-5H3,(H,19,20).
What are the key properties of 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid?
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 1.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79275630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).