5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid

C18H34N2O4 — CID 90241102

IUPAC5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid
SMILESCCCCCCCCCCC(C)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C18H34N2O4/c1-3-4-5-6-7-8-9-10-11-14(2)17(22)20-15(18(23)24)12-13-16(19)21/h14-15H,3-13H2,1-2H3,(H2,19,21)(H,20,22)(H,23,24)
InChIKeyFIBWKCWCIHMEII-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.99
Rot. Bonds15

About 5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid

5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid (PubChem CID 90241102) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is 5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid
PubChem CID90241102
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Name5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid
SMILESCCCCCCCCCCC(C)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C18H34N2O4/c1-3-4-5-6-7-8-9-10-11-14(2)17(22)20-15(18(23)24)12-13-16(19)21/h14-15H,3-13H2,1-2H3,(H2,19,21)(H,20,22)(H,23,24)
InChIKeyFIBWKCWCIHMEII-UHFFFAOYSA-N
XLogP2.99
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-methylheptanoylamino)pentanedioic acid
CID 90258188
(2R)-5-amino-2-[(5-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 107830220
2-(2-methylbutanoylamino)heptanoic acid
CID 115910245
(2R)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
CID 107830072
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 18318649
(2S)-5-amino-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 52922071
(2S)-5-amino-2-(nonadecanoylamino)-5-oxopentanoic acid
CID 171116797
CID 175770301
CID 175770301
5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid
CID 43125486
(2R)-5-amino-2-[[(2S,3R)-3-methyl-2-(tetradecanoylamino)pentanoyl]amino]-5-oxopentanoic acid
CID 144998851
(2S)-5-amino-2-(3-hydroxynonanoylamino)-5-oxopentanoic acid
CID 90241245
(2S)-5-amino-2-(3-hydroxyundecanoylamino)-5-oxopentanoic acid
CID 90240727

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid (CID 90241102) is 5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid is CCCCCCCCCCC(C)C(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid?
The InChIKey is FIBWKCWCIHMEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-3-4-5-6-7-8-9-10-11-14(2)17(22)20-15(18(23)24)12-13-16(19)21/h14-15H,3-13H2,1-2H3,(H2,19,21)(H,20,22)(H,23,24).
What are the key properties of 5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid?
5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid has a molecular weight of 342.48 g/mol, XLogP of 2.99, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 90241102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).