(2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid

C6H13N3O3 — CID 156772994

IUPAC(2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid
SMILESNN/C=N/CCC[C@@H](O)C(=O)O
InChIInChI=1S/C6H13N3O3/c7-9-4-8-3-1-2-5(10)6(11)12/h4-5,10H,1-3,7H2,(H,8,9)(H,11,12)/t5-/m1/s1
InChIKeyKGWNQTTUJOZFCG-RXMQYKEDSA-N
MW175.19 g/mol
LogP-1.30
Rot. Bonds6

About (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid

(2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid (PubChem CID 156772994) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid.

Molecular Properties

Compound Name(2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid
PubChem CID156772994
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name(2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid
SMILESNN/C=N/CCC[C@@H](O)C(=O)O
InChIInChI=1S/C6H13N3O3/c7-9-4-8-3-1-2-5(10)6(11)12/h4-5,10H,1-3,7H2,(H,8,9)(H,11,12)/t5-/m1/s1
InChIKeyKGWNQTTUJOZFCG-RXMQYKEDSA-N
XLogP-1.30
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid?
The IUPAC name of (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid (CID 156772994) is (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid.
What is the SMILES notation for (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid?
The canonical SMILES for (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid is NN/C=N/CCC[C@@H](O)C(=O)O.
What is the InChIKey of (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid?
The InChIKey is KGWNQTTUJOZFCG-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13N3O3/c7-9-4-8-3-1-2-5(10)6(11)12/h4-5,10H,1-3,7H2,(H,8,9)(H,11,12)/t5-/m1/s1.
What are the key properties of (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid?
(2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid has a molecular weight of 175.19 g/mol, XLogP of -1.30, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid is sourced from PubChem (CID 156772994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).