benzyl 2-amino-3-aminooxypropanoate;hydrochloride

C10H15ClN2O3 — CID 134125396

IUPACbenzyl 2-amino-3-aminooxypropanoate;hydrochloride
SMILESCl.NOCC(N)C(=O)OCc1ccccc1
InChIInChI=1S/C10H14N2O3.ClH/c11-9(7-15-12)10(13)14-6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11-12H2;1H
InChIKeyWAYMVOWDHFFXSB-UHFFFAOYSA-N
MW246.69 g/mol
LogP0.37
Rot. Bonds5

About benzyl 2-amino-3-aminooxypropanoate;hydrochloride

benzyl 2-amino-3-aminooxypropanoate;hydrochloride (PubChem CID 134125396) has the molecular formula C10H15ClN2O3 and a molecular weight of 246.69 g/mol. Its IUPAC name is benzyl 2-amino-3-aminooxypropanoate;hydrochloride.

Molecular Properties

Compound Namebenzyl 2-amino-3-aminooxypropanoate;hydrochloride
PubChem CID134125396
Molecular FormulaC10H15ClN2O3
Molecular Weight246.69 g/mol
Exact Mass246.08
IUPAC Namebenzyl 2-amino-3-aminooxypropanoate;hydrochloride
SMILESCl.NOCC(N)C(=O)OCc1ccccc1
InChIInChI=1S/C10H14N2O3.ClH/c11-9(7-15-12)10(13)14-6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11-12H2;1H
InChIKeyWAYMVOWDHFFXSB-UHFFFAOYSA-N
XLogP0.37
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzyl 2-amino-3-aminooxypropanoate;hydrochloride 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

benzyl (2R)-2-amino-3-iodopropanoate
CID 11623654
benzyl 2-amino-3-chloropropanoate;hydrochloride
CID 175069294
benzyl 2,3-diaminopropanoate
CID 19891176
benzyl 2-amino-4-iodobutanoate
CID 141050594
benzyl 2-amino-4-methylpentanoate;hydrochloride
CID 19885596
benzyl 2-amino-3-[(2-amino-3-oxo-3-phenylmethoxypropyl)amino]propanoate
CID 57084222
(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
benzyl (2S)-2-aminopent-4-enoate;hydrochloride
CID 67440277
benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate
CID 10089317
(3S)-3-amino-4-oxo-4-phenylmethoxybutanoate
CID 51722874
benzyl 2-amino-4-bromobutanoate
CID 18467389
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-3-aminooxypropanoate;hydrochloride?
The IUPAC name of benzyl 2-amino-3-aminooxypropanoate;hydrochloride (CID 134125396) is benzyl 2-amino-3-aminooxypropanoate;hydrochloride.
What is the SMILES notation for benzyl 2-amino-3-aminooxypropanoate;hydrochloride?
The canonical SMILES for benzyl 2-amino-3-aminooxypropanoate;hydrochloride is Cl.NOCC(N)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-amino-3-aminooxypropanoate;hydrochloride?
The InChIKey is WAYMVOWDHFFXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3.ClH/c11-9(7-15-12)10(13)14-6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11-12H2;1H.
What are the key properties of benzyl 2-amino-3-aminooxypropanoate;hydrochloride?
benzyl 2-amino-3-aminooxypropanoate;hydrochloride has a molecular weight of 246.69 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-3-aminooxypropanoate;hydrochloride is sourced from PubChem (CID 134125396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).