(2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid

C11H15N3O5 — CID 142579206

IUPAC(2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NNc1cc(O)cc(O)c1)C(=O)O
InChIInChI=1S/C11H15N3O5/c12-10(17)2-1-9(11(18)19)14-13-6-3-7(15)5-8(16)4-6/h3-5,9,13-16H,1-2H2,(H2,12,17)(H,18,19)/t9-/m0/s1
InChIKeyGDGBIUVPUVAJDN-VIFPVBQESA-N
MW269.26 g/mol
LogP-0.27
Rot. Bonds7

About (2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid

(2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid (PubChem CID 142579206) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid
PubChem CID142579206
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name(2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NNc1cc(O)cc(O)c1)C(=O)O
InChIInChI=1S/C11H15N3O5/c12-10(17)2-1-9(11(18)19)14-13-6-3-7(15)5-8(16)4-6/h3-5,9,13-16H,1-2H2,(H2,12,17)(H,18,19)/t9-/m0/s1
InChIKeyGDGBIUVPUVAJDN-VIFPVBQESA-N
XLogP-0.27
TPSA144.91 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid
CID 59039488
(2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid
CID 175396342
(2S)-5-amino-2-anilino-5-oxopentanoic acid
CID 54197392
5-amino-2-[(2,5-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107721564
5-amino-2-(4-aminoanilino)-5-oxopentanoic acid
CID 70627303
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2S)-5-amino-2-[(2-chloro-5-hydroxybenzoyl)amino]-5-oxopentanoic acid
CID 106500238
(2S)-5-amino-2-[(3,4-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107728042
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663
CID 68604008
CID 68604008
(2S)-5-amino-2-formamido-5-oxopentanoic acid
CID 2054353
(2S)-5-amino-2-[(2,4-dimethylphenyl)methylamino]-5-oxopentanoic acid
CID 67619717

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid (CID 142579206) is (2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid is NC(=O)CC[C@H](NNc1cc(O)cc(O)c1)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid?
The InChIKey is GDGBIUVPUVAJDN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O5/c12-10(17)2-1-9(11(18)19)14-13-6-3-7(15)5-8(16)4-6/h3-5,9,13-16H,1-2H2,(H2,12,17)(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid?
(2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid has a molecular weight of 269.26 g/mol, XLogP of -0.27, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid is sourced from PubChem (CID 142579206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).