2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid

C13H22N2O6 — CID 11312683

IUPAC2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)C(C)(C)C(=O)NC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C13H22N2O6/c1-11(2,7(16)14-12(3,4)9(18)19)8(17)15-13(5,6)10(20)21/h1-6H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)
InChIKeyLYAOVKLDTDXMTD-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.03
Rot. Bonds6

About 2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid

2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid (PubChem CID 11312683) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid
PubChem CID11312683
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)C(C)(C)C(=O)NC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C13H22N2O6/c1-11(2,7(16)14-12(3,4)9(18)19)8(17)15-13(5,6)10(20)21/h1-6H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)
InChIKeyLYAOVKLDTDXMTD-UHFFFAOYSA-N
XLogP-0.03
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid with MolForge

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Related Compounds

2-Methylalanyl-2-methylalanine
CID 547865
2-[[2-(2-Carboxypropan-2-ylcarbamoyl)-2-ethylbutanoyl]amino]-2-methylpropanoic acid
CID 11278936
2-(2,2-Dimethylpropanoylamino)-2-methylpropanoic acid
CID 15438680
2-Methylalanyl-2-methylalanyl-2-methylalanine
CID 15677195
Methyl 2-[[3-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-3-oxopropanoyl]amino]-2-methylpropanoate
CID 58409318
Alanine, N,Na(2)-(1,2-dioxo-1,2-ethanediyl)bis[2-methyl-
CID 86185776
2-[[3-(2-Carboxypropan-2-ylamino)-2-methyl-3-oxopropanoyl]amino]-2-methylpropanoic acid
CID 141893433
2-Acetamido-2-methylpropanoic acid;ethane
CID 142087544
Ethane;2-methyl-2-(2-methylpropanoylamino)propanoic acid
CID 142311120
H-Aib-Aib-Aib-Aib-OH
CID 23422411
2-[3-(2,2-Dimethylpropanoylamino)propanoylamino]propanoic acid
CID 43355213
2-(2-Acetamido-2-methylpropanamido)-2-methylpropanoic acid
CID 45122336

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid (CID 11312683) is 2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)C(C)(C)C(=O)NC(C)(C)C(=O)O)C(=O)O.
What is the InChIKey of 2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid?
The InChIKey is LYAOVKLDTDXMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-11(2,7(16)14-12(3,4)9(18)19)8(17)15-13(5,6)10(20)21/h1-6H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21).
What are the key properties of 2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid?
2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid has a molecular weight of 302.33 g/mol, XLogP of -0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 11312683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).