4-amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid

C8H14N2O4 — CID 16775588

IUPAC4-amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid
SMILESCC(C)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O4/c1-4(2)7(12)10-5(8(13)14)3-6(9)11/h4-5H,3H2,1-2H3,(H2,9,11)(H,10,12)(H,13,14)
InChIKeyRTMCZQXZOCSHBY-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.91
Rot. Bonds5

About 4-amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid

4-amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid (PubChem CID 16775588) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid
PubChem CID16775588
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name4-amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid
SMILESCC(C)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O4/c1-4(2)7(12)10-5(8(13)14)3-6(9)11/h4-5H,3H2,1-2H3,(H2,9,11)(H,10,12)(H,13,14)
InChIKeyRTMCZQXZOCSHBY-UHFFFAOYSA-N
XLogP-0.91
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid (CID 16775588) is 4-amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid is CC(C)C(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid?
The InChIKey is RTMCZQXZOCSHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-4(2)7(12)10-5(8(13)14)3-6(9)11/h4-5H,3H2,1-2H3,(H2,9,11)(H,10,12)(H,13,14).
What are the key properties of 4-amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid?
4-amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid has a molecular weight of 202.21 g/mol, XLogP of -0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methylpropanoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 16775588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).