2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid

C18H32N2O6 — CID 3064645

IUPAC2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid
SMILESCCC(CCCCC(=O)N(CC)CC(=O)O)CCCC(=O)NCC(=O)O
InChIInChI=1S/C18H32N2O6/c1-3-14(9-7-10-15(21)19-12-17(23)24)8-5-6-11-16(22)20(4-2)13-18(25)26/h14H,3-13H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)
InChIKeyVZAIDVAQRNDFIW-UHFFFAOYSA-N
MW372.46 g/mol
LogP1.88
Rot. Bonds15

About 2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid

2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid (PubChem CID 3064645) has the molecular formula C18H32N2O6 and a molecular weight of 372.46 g/mol. Its IUPAC name is 2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid
PubChem CID3064645
Molecular FormulaC18H32N2O6
Molecular Weight372.46 g/mol
Exact Mass372.23
IUPAC Name2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid
SMILESCCC(CCCCC(=O)N(CC)CC(=O)O)CCCC(=O)NCC(=O)O
InChIInChI=1S/C18H32N2O6/c1-3-14(9-7-10-15(21)19-12-17(23)24)8-5-6-11-16(22)20(4-2)13-18(25)26/h14H,3-13H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)
InChIKeyVZAIDVAQRNDFIW-UHFFFAOYSA-N
XLogP1.88
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid?
The IUPAC name of 2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid (CID 3064645) is 2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid?
The canonical SMILES for 2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid is CCC(CCCCC(=O)N(CC)CC(=O)O)CCCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid?
The InChIKey is VZAIDVAQRNDFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O6/c1-3-14(9-7-10-15(21)19-12-17(23)24)8-5-6-11-16(22)20(4-2)13-18(25)26/h14H,3-13H2,1-2H3,(H,19,21)(H,23,24)(H,25,26).
What are the key properties of 2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid?
2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid has a molecular weight of 372.46 g/mol, XLogP of 1.88, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid is sourced from PubChem (CID 3064645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).