(4S)-4-amino-5-hydrazinyl-5-oxopentanoic acid

C5H11N3O3 — CID 22842015

IUPAC(4S)-4-amino-5-hydrazinyl-5-oxopentanoic acid
SMILESNNC(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C5H11N3O3/c6-3(5(11)8-7)1-2-4(9)10/h3H,1-2,6-7H2,(H,8,11)(H,9,10)/t3-/m0/s1
InChIKeyHACMXPVQBHWNHX-VKHMYHEASA-N
MW161.16 g/mol
LogP-1.83
Rot. Bonds4

About (4S)-4-amino-5-hydrazinyl-5-oxopentanoic acid

(4S)-4-amino-5-hydrazinyl-5-oxopentanoic acid (PubChem CID 22842015) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is (4S)-4-amino-5-hydrazinyl-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-hydrazinyl-5-oxopentanoic acid
PubChem CID22842015
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name(4S)-4-amino-5-hydrazinyl-5-oxopentanoic acid
SMILESNNC(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C5H11N3O3/c6-3(5(11)8-7)1-2-4(9)10/h3H,1-2,6-7H2,(H,8,11)(H,9,10)/t3-/m0/s1
InChIKeyHACMXPVQBHWNHX-VKHMYHEASA-N
XLogP-1.83
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-hydrazinyl-5-oxopentanoic acid?
The IUPAC name of (4S)-4-amino-5-hydrazinyl-5-oxopentanoic acid (CID 22842015) is (4S)-4-amino-5-hydrazinyl-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-hydrazinyl-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-amino-5-hydrazinyl-5-oxopentanoic acid is NNC(=O)[C@@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-amino-5-hydrazinyl-5-oxopentanoic acid?
The InChIKey is HACMXPVQBHWNHX-VKHMYHEASA-N. The full InChI is InChI=1S/C5H11N3O3/c6-3(5(11)8-7)1-2-4(9)10/h3H,1-2,6-7H2,(H,8,11)(H,9,10)/t3-/m0/s1.
What are the key properties of (4S)-4-amino-5-hydrazinyl-5-oxopentanoic acid?
(4S)-4-amino-5-hydrazinyl-5-oxopentanoic acid has a molecular weight of 161.16 g/mol, XLogP of -1.83, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-hydrazinyl-5-oxopentanoic acid is sourced from PubChem (CID 22842015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).