4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid

C10H19N3O4 — CID 55123175

IUPAC4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid
SMILESCCNCC(C)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-12-5-6(2)9(15)13-7(10(16)17)4-8(11)14/h6-7,12H,3-5H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)
InChIKeyHYTFFCSATGAQPL-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.32
Rot. Bonds8

About 4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid

4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid (PubChem CID 55123175) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid
PubChem CID55123175
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid
SMILESCCNCC(C)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-12-5-6(2)9(15)13-7(10(16)17)4-8(11)14/h6-7,12H,3-5H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)
InChIKeyHYTFFCSATGAQPL-UHFFFAOYSA-N
XLogP-1.32
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-5-oxopentanoic acid
CID 62838558
4-amino-2-[[2-methyl-3-(methylamino)propanoyl]amino]-4-oxobutanoic acid
CID 79202743
(2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307482
(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid
CID 107821489
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131
4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid
CID 61156639
(2R)-4-amino-2-(2-aminobutanoylamino)-4-oxobutanoic acid
CID 103870245
(2R)-4-amino-2-[[(2S)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870339
(2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid
CID 107821565
(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870179
(2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid
CID 107824629
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid (CID 55123175) is 4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid is CCNCC(C)C(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid?
The InChIKey is HYTFFCSATGAQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-12-5-6(2)9(15)13-7(10(16)17)4-8(11)14/h6-7,12H,3-5H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17).
What are the key properties of 4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid?
4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.32, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 55123175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).