2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid

C15H26N2O6 — CID 11278936

IUPAC2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid
SMILESCCC(CC)(C(=O)NC(C)(C)C(=O)O)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C15H26N2O6/c1-7-15(8-2,9(18)16-13(3,4)11(20)21)10(19)17-14(5,6)12(22)23/h7-8H2,1-6H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)
InChIKeyILNLGNUGWSIDMJ-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.75
Rot. Bonds8

About 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid

2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid (PubChem CID 11278936) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid
PubChem CID11278936
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid
SMILESCCC(CC)(C(=O)NC(C)(C)C(=O)O)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C15H26N2O6/c1-7-15(8-2,9(18)16-13(3,4)11(20)21)10(19)17-14(5,6)12(22)23/h7-8H2,1-6H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)
InChIKeyILNLGNUGWSIDMJ-UHFFFAOYSA-N
XLogP0.75
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-Amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798231
2-[[2-(Aminomethyl)-2-ethylbutanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 115432674
2-[[3-(2-Carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid
CID 11312683
2-(Butanoylamino)-2-ethylbutanoic acid
CID 21750222
2-[[2-(2-Carboxypropan-2-ylcarbamoyl)-2-ethylbutyl]amino]-2-methylpropanoic acid
CID 54405068
2-[[2-[[3-[[2-[(2-Amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-2,2,3-trimethylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoic acid
CID 59947130
2-(2,2-Dimethylbutanoylamino)-2-methylpropanoic acid
CID 62679330
2-[(1-Ethylcyclopropanecarbonyl)amino]-2-methylpropanoic acid
CID 68249507
2-(2,2-Diethylbutanoylamino)-2-methylpropanoic acid
CID 88907478
2-[[3-(2-Carboxypropan-2-ylamino)-2-methyl-3-oxopropanoyl]amino]-2-methylpropanoic acid
CID 141893433
2-Methyl-2-(2,2,3,3-tetramethylbutanoylamino)propanoic acid
CID 155454497
2,2-diethyl-N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide
CID 10733161

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid (CID 11278936) is 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid is CCC(CC)(C(=O)NC(C)(C)C(=O)O)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid?
The InChIKey is ILNLGNUGWSIDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-7-15(8-2,9(18)16-13(3,4)11(20)21)10(19)17-14(5,6)12(22)23/h7-8H2,1-6H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23).
What are the key properties of 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid?
2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid has a molecular weight of 330.38 g/mol, XLogP of 0.75, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 11278936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).