2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid

C10H20N2O3 — CID 123367492

IUPAC2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid
SMILESCCCNC(=O)CCC(NCC)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-7-12-9(13)6-5-8(10(14)15)11-4-2/h8,11H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyGSMMGUUEJCBECT-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.36
Rot. Bonds8

About 2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid

2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid (PubChem CID 123367492) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid
PubChem CID123367492
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid
SMILESCCCNC(=O)CCC(NCC)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-7-12-9(13)6-5-8(10(14)15)11-4-2/h8,11H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyGSMMGUUEJCBECT-UHFFFAOYSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-5-oxo-5-(propylamino)pentanoic 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

(2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid
CID 167006530
2-[(2-carboxyacetyl)amino]-5-oxo-5-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]pentanoic acid
CID 170149546
18-[[(1S)-1-carboxy-4-oxo-4-(propylamino)butyl]amino]-18-oxooctadecanoic acid
CID 59616536
2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid
CID 103263175
(2S)-2-(methylamino)-5-oxo-5-(pentylamino)pentanoic acid
CID 90209237
5-(hexylamino)-2-(methylamino)-5-oxopentanoic acid
CID 168992251
(4R)-4-amino-N-propylpentanamide
CID 146234117
2-acetamido-5-(ethylamino)-5-oxopentanoic acid
CID 158833796
4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid
CID 62473070
2-(ethylamino)hexanedioic acid
CID 88869975
(2S)-4-amino-2-(ethylamino)butanoic acid
CID 89433986
2-acetamido-5-[[1-carboxy-4-[[1-carboxy-4-[[1-carboxy-4-oxo-4-[[6-oxo-5-(propylamino)heptyl]amino]butyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoic acid
CID 123418902

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid?
The IUPAC name of 2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid (CID 123367492) is 2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid.
What is the SMILES notation for 2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid?
The canonical SMILES for 2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid is CCCNC(=O)CCC(NCC)C(=O)O.
What is the InChIKey of 2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid?
The InChIKey is GSMMGUUEJCBECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-7-12-9(13)6-5-8(10(14)15)11-4-2/h8,11H,3-7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid?
2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid is sourced from PubChem (CID 123367492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).