2-[methyl(tetradecanoyl)amino]pentanoic acid

C20H39NO3 — CID 175341012

IUPAC2-[methyl(tetradecanoyl)amino]pentanoic acid
SMILESCCCCCCCCCCCCCC(=O)N(C)C(CCC)C(=O)O
InChIInChI=1S/C20H39NO3/c1-4-6-7-8-9-10-11-12-13-14-15-17-19(22)21(3)18(16-5-2)20(23)24/h18H,4-17H2,1-3H3,(H,23,24)
InChIKeyBZLODOLHSDWCFI-UHFFFAOYSA-N
MW341.54 g/mol
LogP5.40
Rot. Bonds16

About 2-[methyl(tetradecanoyl)amino]pentanoic acid

2-[methyl(tetradecanoyl)amino]pentanoic acid (PubChem CID 175341012) has the molecular formula C20H39NO3 and a molecular weight of 341.54 g/mol. Its IUPAC name is 2-[methyl(tetradecanoyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[methyl(tetradecanoyl)amino]pentanoic acid
PubChem CID175341012
Molecular FormulaC20H39NO3
Molecular Weight341.54 g/mol
Exact Mass341.29
IUPAC Name2-[methyl(tetradecanoyl)amino]pentanoic acid
SMILESCCCCCCCCCCCCCC(=O)N(C)C(CCC)C(=O)O
InChIInChI=1S/C20H39NO3/c1-4-6-7-8-9-10-11-12-13-14-15-17-19(22)21(3)18(16-5-2)20(23)24/h18H,4-17H2,1-3H3,(H,23,24)
InChIKeyBZLODOLHSDWCFI-UHFFFAOYSA-N
XLogP5.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[dodecanoyl(methyl)amino]-4-methylsulfanylbutanoic acid
CID 22811828
(2S)-4-methyl-2-[methyl(octanoyl)amino]pentanoic acid
CID 10945558
(2S)-2-[methyl(octadecanoyl)amino]propanoic acid
CID 20689915
2-[heptanoyl(methyl)amino]propanoic acid
CID 62626215
ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586
2-(didecylamino)pentanoic acid
CID 101314079
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
(2S)-2-[di(decanoyl)amino]butanedioic acid
CID 139936753
N-(4-aminobutan-2-yl)-N-methylheptanamide
CID 114751924
2-(dimethylamino)pentanoic acid;dodecan-1-amine
CID 172752605
2-(dimethylamino)tetracosanoic acid
CID 19101458
CID 175765431
CID 175765431

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(tetradecanoyl)amino]pentanoic acid?
The IUPAC name of 2-[methyl(tetradecanoyl)amino]pentanoic acid (CID 175341012) is 2-[methyl(tetradecanoyl)amino]pentanoic acid.
What is the SMILES notation for 2-[methyl(tetradecanoyl)amino]pentanoic acid?
The canonical SMILES for 2-[methyl(tetradecanoyl)amino]pentanoic acid is CCCCCCCCCCCCCC(=O)N(C)C(CCC)C(=O)O.
What is the InChIKey of 2-[methyl(tetradecanoyl)amino]pentanoic acid?
The InChIKey is BZLODOLHSDWCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO3/c1-4-6-7-8-9-10-11-12-13-14-15-17-19(22)21(3)18(16-5-2)20(23)24/h18H,4-17H2,1-3H3,(H,23,24).
What are the key properties of 2-[methyl(tetradecanoyl)amino]pentanoic acid?
2-[methyl(tetradecanoyl)amino]pentanoic acid has a molecular weight of 341.54 g/mol, XLogP of 5.40, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(tetradecanoyl)amino]pentanoic acid is sourced from PubChem (CID 175341012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).