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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Related Compounds

(2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride
CID 171935544
(2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid
CID 152756500
2-amino-4-oxopentanoic acid;2-(hexylamino)-4-oxopentanoic acid
CID 175990326
disodium;bis(2-aminoethanol);(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid
CID 134693657
(2S)-6-amino-2-[(1-carboxy-3-oxobutyl)amino]hexanoic acid
CID 175733875
(2S)-2-(5-aminopentylamino)butanedioic acid
CID 122552658
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
(2S)-2-methyl-4-oxopentanoic acid
CID 10942448
hexyl 2-amino-4-oxopentanoate;2-(hexylamino)-4-oxopentanoic acid
CID 175794171
(2S)-2-(2-aminoethylamino)-3-methylbutanoic acid
CID 45082351
(2R)-2-(2-aminoethylamino)-4-oxo-4-(4-propan-2-ylanilino)butanoic acid
CID 7590951
2-(2-aminoethylamino)-4-(3,4-dimethylanilino)-4-oxobutanoic acid
CID 3369054

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).