2-(2-aminobutanoylamino)butanedioic acid

C8H14N2O5 — CID 3565722

IUPAC2-(2-aminobutanoylamino)butanedioic acid
SMILESCCC(N)C(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-2-4(9)7(13)10-5(8(14)15)3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)
InChIKeyCLRVCHISGBHJSZ-UHFFFAOYSA-N
MW218.21 g/mol
LogP-1.23
Rot. Bonds6

About 2-(2-aminobutanoylamino)butanedioic acid

2-(2-aminobutanoylamino)butanedioic acid (PubChem CID 3565722) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(2-aminobutanoylamino)butanedioic acid.

Molecular Properties

Compound Name2-(2-aminobutanoylamino)butanedioic acid
PubChem CID3565722
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name2-(2-aminobutanoylamino)butanedioic acid
SMILESCCC(N)C(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-2-4(9)7(13)10-5(8(14)15)3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)
InChIKeyCLRVCHISGBHJSZ-UHFFFAOYSA-N
XLogP-1.23
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutanoylamino)butanedioic acid?
The IUPAC name of 2-(2-aminobutanoylamino)butanedioic acid (CID 3565722) is 2-(2-aminobutanoylamino)butanedioic acid.
What is the SMILES notation for 2-(2-aminobutanoylamino)butanedioic acid?
The canonical SMILES for 2-(2-aminobutanoylamino)butanedioic acid is CCC(N)C(=O)NC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(2-aminobutanoylamino)butanedioic acid?
The InChIKey is CLRVCHISGBHJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-2-4(9)7(13)10-5(8(14)15)3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15).
What are the key properties of 2-(2-aminobutanoylamino)butanedioic acid?
2-(2-aminobutanoylamino)butanedioic acid has a molecular weight of 218.21 g/mol, XLogP of -1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutanoylamino)butanedioic acid is sourced from PubChem (CID 3565722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).