5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid

C14H28N2O5 — CID 90800865

IUPAC5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid
SMILESCC(C)(CCOC(C)(C)CCCC(=O)O)NC(=O)CON
InChIInChI=1S/C14H28N2O5/c1-13(2,16-11(17)10-21-15)8-9-20-14(3,4)7-5-6-12(18)19/h5-10,15H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyGDMYGDSRGOEBEQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.21
Rot. Bonds11

About 5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid

5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid (PubChem CID 90800865) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid.

Molecular Properties

Compound Name5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid
PubChem CID90800865
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Name5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid
SMILESCC(C)(CCOC(C)(C)CCCC(=O)O)NC(=O)CON
InChIInChI=1S/C14H28N2O5/c1-13(2,16-11(17)10-21-15)8-9-20-14(3,4)7-5-6-12(18)19/h5-10,15H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyGDMYGDSRGOEBEQ-UHFFFAOYSA-N
XLogP1.21
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic 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

4-methyl-4-[3-methyl-3-(pent-4-ynoylamino)butoxy]pentanoic acid
CID 145419739
4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid
CID 129177449
N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide
CID 143784438
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide
CID 145419732
4-[3-[(5-amino-3,4-diiodohexa-1,5-dien-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid
CID 129157443
N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 170276011
4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane
CID 155698441
N-[4-[6-(tert-butylamino)-2-methylhexan-2-yl]oxy-2-methylbutan-2-yl]acetamide
CID 162684940
4-(5-methoxypentanoylamino)-4-methylpentanoic acid
CID 119203844
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide
CID 174254450
4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid
CID 142009252

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid?
The IUPAC name of 5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid (CID 90800865) is 5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid.
What is the SMILES notation for 5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid?
The canonical SMILES for 5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid is CC(C)(CCOC(C)(C)CCCC(=O)O)NC(=O)CON.
What is the InChIKey of 5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid?
The InChIKey is GDMYGDSRGOEBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5/c1-13(2,16-11(17)10-21-15)8-9-20-14(3,4)7-5-6-12(18)19/h5-10,15H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid?
5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid has a molecular weight of 304.39 g/mol, XLogP of 1.21, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid is sourced from PubChem (CID 90800865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).