2-(2-aminoethylamino)-4-oxopentanoic acid

C7H14N2O3 — CID 59927928

IUPAC2-(2-aminoethylamino)-4-oxopentanoic acid
SMILESCC(=O)CC(NCCN)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-5(10)4-6(7(11)12)9-3-2-8/h6,9H,2-4,8H2,1H3,(H,11,12)
InChIKeyIJHCKOKSZOADAU-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.03
Rot. Bonds6

About 2-(2-aminoethylamino)-4-oxopentanoic acid

2-(2-aminoethylamino)-4-oxopentanoic acid (PubChem CID 59927928) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name2-(2-aminoethylamino)-4-oxopentanoic acid
PubChem CID59927928
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-(2-aminoethylamino)-4-oxopentanoic acid
SMILESCC(=O)CC(NCCN)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-5(10)4-6(7(11)12)9-3-2-8/h6,9H,2-4,8H2,1H3,(H,11,12)
InChIKeyIJHCKOKSZOADAU-UHFFFAOYSA-N
XLogP-1.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-4-oxopentanoic acid?
The IUPAC name of 2-(2-aminoethylamino)-4-oxopentanoic acid (CID 59927928) is 2-(2-aminoethylamino)-4-oxopentanoic acid.
What is the SMILES notation for 2-(2-aminoethylamino)-4-oxopentanoic acid?
The canonical SMILES for 2-(2-aminoethylamino)-4-oxopentanoic acid is CC(=O)CC(NCCN)C(=O)O.
What is the InChIKey of 2-(2-aminoethylamino)-4-oxopentanoic acid?
The InChIKey is IJHCKOKSZOADAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(10)4-6(7(11)12)9-3-2-8/h6,9H,2-4,8H2,1H3,(H,11,12).
What are the key properties of 2-(2-aminoethylamino)-4-oxopentanoic acid?
2-(2-aminoethylamino)-4-oxopentanoic acid has a molecular weight of 174.20 g/mol, XLogP of -1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-4-oxopentanoic acid is sourced from PubChem (CID 59927928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).