4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid

C11H20N2O4 — CID 103499144

IUPAC4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCCNC(=O)CCNC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-12-9(14)5-6-13-10(15)7(2)8(3)11(16)17/h7-8H,4-6H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyPFKAZNKUBREZTF-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.01
Rot. Bonds7

About 4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid

4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103499144) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103499144
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCCNC(=O)CCNC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-12-9(14)5-6-13-10(15)7(2)8(3)11(16)17/h7-8H,4-6H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyPFKAZNKUBREZTF-UHFFFAOYSA-N
XLogP-0.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498046
4-(2-acetamidoethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496269
4-[[3-(ethylamino)-3-oxopropyl]carbamoylamino]-2-hydroxybutanoic acid
CID 107840927
4-(3-aminopropylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 56942187
2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide
CID 113410027
4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107214713
4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 106120319
2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid
CID 103496290
N-ethyl-3-[[ethyl(methyl)carbamoyl]amino]propanamide
CID 116657785
2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide
CID 178008548
2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid
CID 103263175

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid (CID 103499144) is 4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid is CCNC(=O)CCNC(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is PFKAZNKUBREZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-12-9(14)5-6-13-10(15)7(2)8(3)11(16)17/h7-8H,4-6H2,1-3H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103499144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).