(2S)-2-[di(decanoyl)amino]butanedioic acid

C24H43NO6 — CID 139936753

IUPAC(2S)-2-[di(decanoyl)amino]butanedioic acid
SMILESCCCCCCCCCC(=O)N(C(=O)CCCCCCCCC)[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C24H43NO6/c1-3-5-7-9-11-13-15-17-21(26)25(20(24(30)31)19-23(28)29)22(27)18-16-14-12-10-8-6-4-2/h20H,3-19H2,1-2H3,(H,28,29)(H,30,31)/t20-/m0/s1
InChIKeyFAIRPNJDNYNNAV-FQEVSTJZSA-N
MW441.61 g/mol
LogP5.55
Rot. Bonds20

About (2S)-2-[di(decanoyl)amino]butanedioic acid

(2S)-2-[di(decanoyl)amino]butanedioic acid (PubChem CID 139936753) has the molecular formula C24H43NO6 and a molecular weight of 441.61 g/mol. Its IUPAC name is (2S)-2-[di(decanoyl)amino]butanedioic acid.

Molecular Properties

Compound Name(2S)-2-[di(decanoyl)amino]butanedioic acid
PubChem CID139936753
Molecular FormulaC24H43NO6
Molecular Weight441.61 g/mol
Exact Mass441.31
IUPAC Name(2S)-2-[di(decanoyl)amino]butanedioic acid
SMILESCCCCCCCCCC(=O)N(C(=O)CCCCCCCCC)[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C24H43NO6/c1-3-5-7-9-11-13-15-17-21(26)25(20(24(30)31)19-23(28)29)22(27)18-16-14-12-10-8-6-4-2/h20H,3-19H2,1-2H3,(H,28,29)(H,30,31)/t20-/m0/s1
InChIKeyFAIRPNJDNYNNAV-FQEVSTJZSA-N
XLogP5.55
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.61
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[di(decanoyl)amino]butanedioic 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

(3S)-4-amino-3-[di(octadecanoyl)amino]-4-oxobutanoic acid
CID 91478873
(2S)-4-amino-2-[di(octadecanoyl)amino]-4-oxobutanoic acid
CID 141234039
CID 175765431
CID 175765431
CID 175765427
CID 175765427
(2S)-2-[methyl(tridecanoyloxy)amino]butanedioic acid
CID 151460285
(2R)-3-(2,3-dihydroxypropylsulfanyl)-2-[di(octadecanoyl)amino]propanoic acid
CID 87170400
2-[methyl(tetradecanoyl)amino]pentanoic acid
CID 175341012
(2R)-2-[di(dodecanoyl)amino]-3-(2,3-dihydroxypropanoylsulfanyl)propanoic acid
CID 141085784
(2R)-3-(2,3-dihydroxypropanoylsulfanyl)-2-[di(octadecanoyl)amino]propanoic acid
CID 141085783
(2S)-2-[tert-butyl(undecanoyloxy)amino]butanedioic acid
CID 150315840
(2S)-4-methyl-2-[methyl(octanoyl)amino]pentanoic acid
CID 10945558
2-[carboxymethyl(octadecanoyl)amino]acetic acid
CID 13060866

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[di(decanoyl)amino]butanedioic acid?
The IUPAC name of (2S)-2-[di(decanoyl)amino]butanedioic acid (CID 139936753) is (2S)-2-[di(decanoyl)amino]butanedioic acid.
What is the SMILES notation for (2S)-2-[di(decanoyl)amino]butanedioic acid?
The canonical SMILES for (2S)-2-[di(decanoyl)amino]butanedioic acid is CCCCCCCCCC(=O)N(C(=O)CCCCCCCCC)[C@@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[di(decanoyl)amino]butanedioic acid?
The InChIKey is FAIRPNJDNYNNAV-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H43NO6/c1-3-5-7-9-11-13-15-17-21(26)25(20(24(30)31)19-23(28)29)22(27)18-16-14-12-10-8-6-4-2/h20H,3-19H2,1-2H3,(H,28,29)(H,30,31)/t20-/m0/s1.
What are the key properties of (2S)-2-[di(decanoyl)amino]butanedioic acid?
(2S)-2-[di(decanoyl)amino]butanedioic acid has a molecular weight of 441.61 g/mol, XLogP of 5.55, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[di(decanoyl)amino]butanedioic acid is sourced from PubChem (CID 139936753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).