6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid

C15H28N2O4 — CID 102906601

IUPAC6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid
SMILESCC(C)C(CNC(=O)NC(=O)CCCCC(=O)O)C(C)C
InChIInChI=1S/C15H28N2O4/c1-10(2)12(11(3)4)9-16-15(21)17-13(18)7-5-6-8-14(19)20/h10-12H,5-9H2,1-4H3,(H,19,20)(H2,16,17,18,21)
InChIKeyQJPUEWMCHZFPDG-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.39
Rot. Bonds9

About 6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid

6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid (PubChem CID 102906601) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid
PubChem CID102906601
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid
SMILESCC(C)C(CNC(=O)NC(=O)CCCCC(=O)O)C(C)C
InChIInChI=1S/C15H28N2O4/c1-10(2)12(11(3)4)9-16-15(21)17-13(18)7-5-6-8-14(19)20/h10-12H,5-9H2,1-4H3,(H,19,20)(H2,16,17,18,21)
InChIKeyQJPUEWMCHZFPDG-UHFFFAOYSA-N
XLogP2.39
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-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

5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid
CID 63958104
5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 113287624
6-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]-6-oxohexanoic acid
CID 43452308
6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid
CID 61477979
6-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-6-oxohexanoic acid
CID 65048210
5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 43533623
4-methyl-6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]hexanoic acid
CID 102907233
4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904773
5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid
CID 28931731
6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid
CID 106340011
(2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
CID 102907124
6-(benzylcarbamoylamino)-6-oxohexanoic acid
CID 43447266

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid (CID 102906601) is 6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid is CC(C)C(CNC(=O)NC(=O)CCCCC(=O)O)C(C)C.
What is the InChIKey of 6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid?
The InChIKey is QJPUEWMCHZFPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-10(2)12(11(3)4)9-16-15(21)17-13(18)7-5-6-8-14(19)20/h10-12H,5-9H2,1-4H3,(H,19,20)(H2,16,17,18,21).
What are the key properties of 6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid?
6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.39, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid is sourced from PubChem (CID 102906601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).