5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid

C19H37N3O6 — CID 166131979

IUPAC5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid
SMILESCCC(CC)(CNC(C)=O)COCC(C)(C)CNC(=O)CCC(ON)C(=O)O
InChIInChI=1S/C19H37N3O6/c1-6-19(7-2,11-21-14(3)23)13-27-12-18(4,5)10-22-16(24)9-8-15(28-20)17(25)26/h15H,6-13,20H2,1-5H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyCKHCMAOTJGSLOI-UHFFFAOYSA-N
MW403.52 g/mol
LogP1.21
Rot. Bonds15

About 5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid

5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid (PubChem CID 166131979) has the molecular formula C19H37N3O6 and a molecular weight of 403.52 g/mol. Its IUPAC name is 5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid
PubChem CID166131979
Molecular FormulaC19H37N3O6
Molecular Weight403.52 g/mol
Exact Mass403.27
IUPAC Name5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid
SMILESCCC(CC)(CNC(C)=O)COCC(C)(C)CNC(=O)CCC(ON)C(=O)O
InChIInChI=1S/C19H37N3O6/c1-6-19(7-2,11-21-14(3)23)13-27-12-18(4,5)10-22-16(24)9-8-15(28-20)17(25)26/h15H,6-13,20H2,1-5H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyCKHCMAOTJGSLOI-UHFFFAOYSA-N
XLogP1.21
TPSA139.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic 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

N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide
CID 129177621
N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide
CID 178123006
N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]hexadecanamide
CID 162756117
N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide
CID 130332874
N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide
CID 106250717
4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride
CID 120563952
N-[2-[[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-2-oxoethyl]hexanamide
CID 170966316
N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide
CID 155398854
N-[3-[3-[3-(3-amino-2,2-dimethylpropoxy)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide;ethane
CID 171529103
4-[3-(butanoylamino)-2,2-dimethylpropoxy]-N-[3-[2-(methoxymethyl)-2-methylbutoxy]-2,2-dimethylpropyl]-3,3-dimethylbutanamide
CID 170966709
N-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide
CID 170129030
methyl (2S)-5-[[3-[4-[[3-[3-(hexadecanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 170014652

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid?
The IUPAC name of 5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid (CID 166131979) is 5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid.
What is the SMILES notation for 5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid?
The canonical SMILES for 5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid is CCC(CC)(CNC(C)=O)COCC(C)(C)CNC(=O)CCC(ON)C(=O)O.
What is the InChIKey of 5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid?
The InChIKey is CKHCMAOTJGSLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O6/c1-6-19(7-2,11-21-14(3)23)13-27-12-18(4,5)10-22-16(24)9-8-15(28-20)17(25)26/h15H,6-13,20H2,1-5H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid?
5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid has a molecular weight of 403.52 g/mol, XLogP of 1.21, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid is sourced from PubChem (CID 166131979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).