(2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid

C7H13N3O4 — CID 142771596

IUPAC(2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid
SMILESCC(=O)NN[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C7H13N3O4/c1-4(11)9-10-5(7(13)14)2-3-6(8)12/h5,10H,2-3H2,1H3,(H2,8,12)(H,9,11)(H,13,14)/t5-/m0/s1
InChIKeyPIFOHJLMEUQSGH-YFKPBYRVSA-N
MW203.20 g/mol
LogP-1.65
Rot. Bonds6

About (2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid

(2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid (PubChem CID 142771596) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is (2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid
PubChem CID142771596
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Name(2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid
SMILESCC(=O)NN[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C7H13N3O4/c1-4(11)9-10-5(7(13)14)2-3-6(8)12/h5,10H,2-3H2,1H3,(H2,8,12)(H,9,11)(H,13,14)/t5-/m0/s1
InChIKeyPIFOHJLMEUQSGH-YFKPBYRVSA-N
XLogP-1.65
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid?
The IUPAC name of (2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid (CID 142771596) is (2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid is CC(=O)NN[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid?
The InChIKey is PIFOHJLMEUQSGH-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13N3O4/c1-4(11)9-10-5(7(13)14)2-3-6(8)12/h5,10H,2-3H2,1H3,(H2,8,12)(H,9,11)(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid?
(2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid has a molecular weight of 203.20 g/mol, XLogP of -1.65, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-acetylhydrazinyl)-5-amino-5-oxopentanoic acid is sourced from PubChem (CID 142771596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).