6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid

C12H22N2O4 — CID 114167176

IUPAC6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid
SMILESCNC(=O)C(C)(C)CNC(=O)CCCCC(=O)O
InChIInChI=1S/C12H22N2O4/c1-12(2,11(18)13-3)8-14-9(15)6-4-5-7-10(16)17/h4-8H2,1-3H3,(H,13,18)(H,14,15)(H,16,17)
InChIKeyZUUFBECJUSHMIN-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.52
Rot. Bonds8

About 6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid

6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid (PubChem CID 114167176) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid
PubChem CID114167176
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid
SMILESCNC(=O)C(C)(C)CNC(=O)CCCCC(=O)O
InChIInChI=1S/C12H22N2O4/c1-12(2,11(18)13-3)8-14-9(15)6-4-5-7-10(16)17/h4-8H2,1-3H3,(H,13,18)(H,14,15)(H,16,17)
InChIKeyZUUFBECJUSHMIN-UHFFFAOYSA-N
XLogP0.52
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic 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

4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106275580
3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide
CID 106276822
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 106279362
6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112
5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid
CID 104573930
2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106275578
2,2-dimethyl-3-(pentanoylamino)propanoic acid
CID 81367765
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]pentanedioic acid
CID 106279376
5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 43529039
20-(ethylamino)-20-oxoicosanoic acid
CID 59533791
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805
3-(6-acetamidohexanoylamino)-2,2-dimethylpropanoic acid
CID 81369341

Frequently Asked Questions

What is the IUPAC name of 6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid?
The IUPAC name of 6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid (CID 114167176) is 6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid is CNC(=O)C(C)(C)CNC(=O)CCCCC(=O)O.
What is the InChIKey of 6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid?
The InChIKey is ZUUFBECJUSHMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,11(18)13-3)8-14-9(15)6-4-5-7-10(16)17/h4-8H2,1-3H3,(H,13,18)(H,14,15)(H,16,17).
What are the key properties of 6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid?
6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-6-oxohexanoic acid is sourced from PubChem (CID 114167176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).