2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

C13H25NO4 — CID 53445089

IUPAC2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
SMILESCCCN(CCC)C(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-6-8-14(9-7-2)10(11(15)16)12(17)18-13(3,4)5/h10H,6-9H2,1-5H3,(H,15,16)
InChIKeyZTHZKZCUTMRVFZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.90
Rot. Bonds7

About 2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid (PubChem CID 53445089) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
PubChem CID53445089
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
SMILESCCCN(CCC)C(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-6-8-14(9-7-2)10(11(15)16)12(17)18-13(3,4)5/h10H,6-9H2,1-5H3,(H,15,16)
InChIKeyZTHZKZCUTMRVFZ-UHFFFAOYSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic 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

3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid
CID 87496644
2-(N-methylanilino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 42609009
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid
CID 170277244
2-[(2-methylpropan-2-yl)oxycarbonyl]icosanoic acid
CID 177254544
3-amino-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 174431807
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-3-sulfanylpropanoic acid
CID 87312791
tert-butyl 2,2-bis(dimethylamino)acetate
CID 20512349
2-[(2-methylpropan-2-yl)oxycarbonyl]butanedioic acid
CID 54139200
tert-butyl (2R)-2-hydroxypentanoate
CID 90988150
(2S)-2-[amino(hydroxy)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174431391
tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate
CID 66338147
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate
CID 89116741

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The IUPAC name of 2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid (CID 53445089) is 2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid.
What is the SMILES notation for 2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The canonical SMILES for 2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid is CCCN(CCC)C(C(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
The InChIKey is ZTHZKZCUTMRVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-6-8-14(9-7-2)10(11(15)16)12(17)18-13(3,4)5/h10H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid?
2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid is sourced from PubChem (CID 53445089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).