2-amino-5-hydrazinyl-6-oxo-6-phenylmethoxyhexanoic acid

C13H19N3O4 — CID 56991981

IUPAC2-amino-5-hydrazinyl-6-oxo-6-phenylmethoxyhexanoic acid
SMILESNNC(CCC(N)C(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C13H19N3O4/c14-10(12(17)18)6-7-11(16-15)13(19)20-8-9-4-2-1-3-5-9/h1-5,10-11,16H,6-8,14-15H2,(H,17,18)
InChIKeyUQEOMCOXMMNGKO-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.25
Rot. Bonds8

About 2-amino-5-hydrazinyl-6-oxo-6-phenylmethoxyhexanoic acid

2-amino-5-hydrazinyl-6-oxo-6-phenylmethoxyhexanoic acid (PubChem CID 56991981) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-amino-5-hydrazinyl-6-oxo-6-phenylmethoxyhexanoic acid.

Molecular Properties

Compound Name2-amino-5-hydrazinyl-6-oxo-6-phenylmethoxyhexanoic acid
PubChem CID56991981
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-amino-5-hydrazinyl-6-oxo-6-phenylmethoxyhexanoic acid
SMILESNNC(CCC(N)C(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C13H19N3O4/c14-10(12(17)18)6-7-11(16-15)13(19)20-8-9-4-2-1-3-5-9/h1-5,10-11,16H,6-8,14-15H2,(H,17,18)
InChIKeyUQEOMCOXMMNGKO-UHFFFAOYSA-N
XLogP-0.25
TPSA127.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
(6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid
CID 70487944
benzyl (5S)-2,6-diamino-5-(benzylamino)-6-oxohexanoate
CID 54161606
(2R)-2-amino-4-phenylmethoxybutanoic acid
CID 51340689
(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid
CID 91436913
2,7-diamino-7-oxo-6-(phenylmethoxycarbonylamino)heptanoic acid
CID 11493537
benzyl 2-amino-3-[(2-amino-3-oxo-3-phenylmethoxypropyl)amino]propanoate
CID 57084222
benzyl 2,3-diaminopropanoate
CID 19891176
bis(2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid);copper
CID 10579765
(2S)-2-amino-7-(phenylmethoxycarbonylamino)heptanoic acid
CID 23561663
benzyl 6-amino-2-(2,6-diaminohexanoylamino)hexanoate
CID 57051472
3-O-benzyl 1-O-methyl 2-aminopropanedioate;hydrochloride
CID 14861668

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydrazinyl-6-oxo-6-phenylmethoxyhexanoic acid?
The IUPAC name of 2-amino-5-hydrazinyl-6-oxo-6-phenylmethoxyhexanoic acid (CID 56991981) is 2-amino-5-hydrazinyl-6-oxo-6-phenylmethoxyhexanoic acid.
What is the SMILES notation for 2-amino-5-hydrazinyl-6-oxo-6-phenylmethoxyhexanoic acid?
The canonical SMILES for 2-amino-5-hydrazinyl-6-oxo-6-phenylmethoxyhexanoic acid is NNC(CCC(N)C(=O)O)C(=O)OCc1ccccc1.
What is the InChIKey of 2-amino-5-hydrazinyl-6-oxo-6-phenylmethoxyhexanoic acid?
The InChIKey is UQEOMCOXMMNGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c14-10(12(17)18)6-7-11(16-15)13(19)20-8-9-4-2-1-3-5-9/h1-5,10-11,16H,6-8,14-15H2,(H,17,18).
What are the key properties of 2-amino-5-hydrazinyl-6-oxo-6-phenylmethoxyhexanoic acid?
2-amino-5-hydrazinyl-6-oxo-6-phenylmethoxyhexanoic acid has a molecular weight of 281.31 g/mol, XLogP of -0.25, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydrazinyl-6-oxo-6-phenylmethoxyhexanoic acid is sourced from PubChem (CID 56991981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).