6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid

C13H24N2O5 — CID 60951961

IUPAC6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid
SMILESCOCCCNC(=O)CN(C)C(=O)CCCCC(=O)O
InChIInChI=1S/C13H24N2O5/c1-15(10-11(16)14-8-5-9-20-2)12(17)6-3-4-7-13(18)19/h3-10H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyWIOYUWZJHBYWAH-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.24
Rot. Bonds11

About 6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid

6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid (PubChem CID 60951961) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid
PubChem CID60951961
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid
SMILESCOCCCNC(=O)CN(C)C(=O)CCCCC(=O)O
InChIInChI=1S/C13H24N2O5/c1-15(10-11(16)14-8-5-9-20-2)12(17)6-3-4-7-13(18)19/h3-10H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyWIOYUWZJHBYWAH-UHFFFAOYSA-N
XLogP0.24
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-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

N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 60952989
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide
CID 60954160
4-amino-5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-5-oxopentanoic acid
CID 64890489
4-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]butanoic acid
CID 115640990
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide
CID 54874049
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 60707643
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 79286861
6-(3-methoxypropylcarbamoylamino)hexanoic acid
CID 61196708
4-[[2-[acetyl(methyl)amino]acetyl]amino]butanoic acid
CID 43355054
2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide
CID 51307828
5-(3-methoxypropylamino)pentanoic acid
CID 103237135

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid (CID 60951961) is 6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid is COCCCNC(=O)CN(C)C(=O)CCCCC(=O)O.
What is the InChIKey of 6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid?
The InChIKey is WIOYUWZJHBYWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-15(10-11(16)14-8-5-9-20-2)12(17)6-3-4-7-13(18)19/h3-10H2,1-2H3,(H,14,16)(H,18,19).
What are the key properties of 6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid?
6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.24, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid is sourced from PubChem (CID 60951961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).