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

C11H22N2O3 — CID 103498046

IUPAC4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCCNCCCNC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-12-6-5-7-13-10(14)8(2)9(3)11(15)16/h8-9,12H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyHHMNAVRSDIGKSD-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.46
Rot. Bonds8

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

4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103498046) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103498046
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCCNCCCNC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-12-6-5-7-13-10(14)8(2)9(3)11(15)16/h8-9,12H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyHHMNAVRSDIGKSD-UHFFFAOYSA-N
XLogP0.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminopropylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 56942187
N-[3-(ethylamino)propyl]-2-sulfanylpropanamide
CID 107023996
4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 106120319
4-(6-aminohexylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 90278241
4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499144
(2R)-2-[3-(ethylamino)propylcarbamoylamino]-3-methylbutanoic acid
CID 79010343
4-(2-acetamidoethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496269
2,3-dimethyl-4-oxo-4-(4-propan-2-yloxybutylamino)butanoic acid
CID 106003621
N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide
CID 167107449
4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107214713
N-[3-(ethylamino)propyl]-3-oxobutanamide
CID 170655625
N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide
CID 63834541

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid (CID 103498046) is 4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid is CCNCCCNC(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is HHMNAVRSDIGKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-12-6-5-7-13-10(14)8(2)9(3)11(15)16/h8-9,12H,4-7H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid?
4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103498046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).