3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid

C14H26N2O4 — CID 62965075

IUPAC3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid
SMILESCCCNC(=O)CN(CCC)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-6-15-12(17)10-16(7-5-2)13(18)8-11(3)9-14(19)20/h11H,4-10H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyMDLWFPIRZPATHY-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.25
Rot. Bonds10

About 3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid

3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid (PubChem CID 62965075) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid
PubChem CID62965075
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid
SMILESCCCNC(=O)CN(CCC)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-6-15-12(17)10-16(7-5-2)13(18)8-11(3)9-14(19)20/h11H,4-10H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyMDLWFPIRZPATHY-UHFFFAOYSA-N
XLogP1.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
CID 62964741
2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
CID 63679327
3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide
CID 81087093
2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid
CID 119205165
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride
CID 119741250
2-[propyl(3,5,5-trimethylhexanoyl)amino]acetic acid
CID 61012350
3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid
CID 62965171
(2R)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenyl-N-propylacetamide
CID 61163404
N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide
CID 121263921
5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62956088
5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965425
5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid
CID 62963726

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid (CID 62965075) is 3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid is CCCNC(=O)CN(CCC)C(=O)CC(C)CC(=O)O.
What is the InChIKey of 3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid?
The InChIKey is MDLWFPIRZPATHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-6-15-12(17)10-16(7-5-2)13(18)8-11(3)9-14(19)20/h11H,4-10H2,1-3H3,(H,15,17)(H,19,20).
What are the key properties of 3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid?
3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.25, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid is sourced from PubChem (CID 62965075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).