4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid

C13H23NO5 — CID 103498133

IUPAC4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCCCN(CC(=O)OCC)C(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C13H23NO5/c1-5-7-14(8-11(15)19-6-2)12(16)9(3)10(4)13(17)18/h9-10H,5-8H2,1-4H3,(H,17,18)
InChIKeyHGRMNLBDTNPKPU-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.14
Rot. Bonds8

About 4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid

4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103498133) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103498133
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCCCN(CC(=O)OCC)C(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C13H23NO5/c1-5-7-14(8-11(15)19-6-2)12(16)9(3)10(4)13(17)18/h9-10H,5-8H2,1-4H3,(H,17,18)
InChIKeyHGRMNLBDTNPKPU-UHFFFAOYSA-N
XLogP1.14
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate
CID 54898521
ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate
CID 61008627
(3R)-4-ethoxy-2,3-dimethyl-4-oxobutanoic acid
CID 150582435
ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate
CID 97027871
ethyl 2-[ethyl(2-methylpropanoyl)amino]acetate
CID 61021514
ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate
CID 103515014
4-(dipentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497775
ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate
CID 107905016
ethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate
CID 78902033
ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate
CID 79162765
3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methyl-3-oxopropanoic acid
CID 114897747
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate
CID 61173929

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid (CID 103498133) is 4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid is CCCN(CC(=O)OCC)C(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is HGRMNLBDTNPKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-5-7-14(8-11(15)19-6-2)12(16)9(3)10(4)13(17)18/h9-10H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid?
4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 273.33 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103498133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).