2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid

C13H24N2O4 — CID 119205165

IUPAC2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid
SMILESCCCNC(=O)CCCC(=O)N(CCC)CC(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-8-14-11(16)6-5-7-12(17)15(9-4-2)10-13(18)19/h3-10H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyXRPMWBQRIRKYPZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.01
Rot. Bonds10

About 2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid

2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid (PubChem CID 119205165) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid
PubChem CID119205165
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid
SMILESCCCNC(=O)CCCC(=O)N(CCC)CC(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-8-14-11(16)6-5-7-12(17)15(9-4-2)10-13(18)19/h3-10H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyXRPMWBQRIRKYPZ-UHFFFAOYSA-N
XLogP1.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[propyl(tridecanoyl)amino]acetic acid
CID 139609682
3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid
CID 119177201
2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
CID 63679327
(2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid
CID 97234402
N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
CID 90402751
3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid
CID 62965075
2-[octadecanoyl(pentyl)amino]acetic acid
CID 175340865
2-[butyl(octadecanoyl)amino]acetic acid
CID 175340712
2-[hexadecyl(nonanoyl)amino]acetic acid
CID 138918698
N,N'-dipropyldecanediamide
CID 102239298
2-[4-(cyclohexylcarbamoylamino)butanoyl-propylamino]acetic acid
CID 119204747
2-methyl-2-[methyl-[5-oxo-5-(propylamino)pentanoyl]amino]propanoic acid
CID 119200352

Frequently Asked Questions

What is the IUPAC name of 2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid (CID 119205165) is 2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid is CCCNC(=O)CCCC(=O)N(CCC)CC(=O)O.
What is the InChIKey of 2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid?
The InChIKey is XRPMWBQRIRKYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-8-14-11(16)6-5-7-12(17)15(9-4-2)10-13(18)19/h3-10H2,1-2H3,(H,14,16)(H,18,19).
What are the key properties of 2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid?
2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.01, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid is sourced from PubChem (CID 119205165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).