4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid

C14H24N2O6 — CID 3888239

IUPAC4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCCCCCNC(=O)CCC(=O)O
InChIInChI=1S/C14H24N2O6/c17-11(5-7-13(19)20)15-9-3-1-2-4-10-16-12(18)6-8-14(21)22/h1-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)
InChIKeySFTAUCUOSGGSBV-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.51
Rot. Bonds13

About 4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid

4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid (PubChem CID 3888239) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
PubChem CID3888239
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Name4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCCCCCNC(=O)CCC(=O)O
InChIInChI=1S/C14H24N2O6/c17-11(5-7-13(19)20)15-9-3-1-2-4-10-16-12(18)6-8-14(21)22/h1-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)
InChIKeySFTAUCUOSGGSBV-UHFFFAOYSA-N
XLogP0.51
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic 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-[11-[[2-(3-carboxypropanoylamino)acetyl]amino]undecylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 89444985
4-(6-hydroxyhexylamino)-4-oxobutanoic acid
CID 82675255
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium
CID 59926153
4-[5-(carboxymethylcarbamoylamino)pentylamino]-4-oxobutanoic acid
CID 144662946
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]-4-oxobutanoic acid
CID 10018649
4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid
CID 131955130
16-(butanoylamino)hexadecanoic acid
CID 118711043

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid (CID 3888239) is 4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid is O=C(O)CCC(=O)NCCCCCCNC(=O)CCC(=O)O.
What is the InChIKey of 4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid?
The InChIKey is SFTAUCUOSGGSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6/c17-11(5-7-13(19)20)15-9-3-1-2-4-10-16-12(18)6-8-14(21)22/h1-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22).
What are the key properties of 4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid?
4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid has a molecular weight of 316.35 g/mol, XLogP of 0.51, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid is sourced from PubChem (CID 3888239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).