benzyl 2-amino-3-chloropropanoate;hydrochloride

C10H13Cl2NO2 — CID 175069294

IUPACbenzyl 2-amino-3-chloropropanoate;hydrochloride
SMILESCl.NC(CCl)C(=O)OCc1ccccc1
InChIInChI=1S/C10H12ClNO2.ClH/c11-6-9(12)10(13)14-7-8-4-2-1-3-5-8;/h1-5,9H,6-7,12H2;1H
InChIKeyWAXZCMTZSPZZFY-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.72
Rot. Bonds4

About benzyl 2-amino-3-chloropropanoate;hydrochloride

benzyl 2-amino-3-chloropropanoate;hydrochloride (PubChem CID 175069294) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is benzyl 2-amino-3-chloropropanoate;hydrochloride.

Molecular Properties

Compound Namebenzyl 2-amino-3-chloropropanoate;hydrochloride
PubChem CID175069294
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Namebenzyl 2-amino-3-chloropropanoate;hydrochloride
SMILESCl.NC(CCl)C(=O)OCc1ccccc1
InChIInChI=1S/C10H12ClNO2.ClH/c11-6-9(12)10(13)14-7-8-4-2-1-3-5-8;/h1-5,9H,6-7,12H2;1H
InChIKeyWAXZCMTZSPZZFY-UHFFFAOYSA-N
XLogP1.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

benzyl 2,3-diaminopropanoate
CID 19891176
benzyl 2-amino-3-aminooxypropanoate;hydrochloride
CID 134125396
benzyl (2R)-2-amino-3-iodopropanoate
CID 11623654
benzyl 2-amino-4-methylpentanoate;hydrochloride
CID 19885596
(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
benzyl 2-amino-3-[(2-amino-3-oxo-3-phenylmethoxypropyl)amino]propanoate
CID 57084222
benzyl (2S)-2-aminopent-4-enoate;hydrochloride
CID 67440277
(3S)-3-amino-4-oxo-4-phenylmethoxybutanoate
CID 51722874
benzyl (2S)-2-amino-4-bromobutanoate
CID 67264849
benzyl 2-amino-4-bromobutanoate
CID 18467389
benzyl 2-amino-4-iodobutanoate
CID 141050594
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-3-chloropropanoate;hydrochloride?
The IUPAC name of benzyl 2-amino-3-chloropropanoate;hydrochloride (CID 175069294) is benzyl 2-amino-3-chloropropanoate;hydrochloride.
What is the SMILES notation for benzyl 2-amino-3-chloropropanoate;hydrochloride?
The canonical SMILES for benzyl 2-amino-3-chloropropanoate;hydrochloride is Cl.NC(CCl)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-amino-3-chloropropanoate;hydrochloride?
The InChIKey is WAXZCMTZSPZZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2.ClH/c11-6-9(12)10(13)14-7-8-4-2-1-3-5-8;/h1-5,9H,6-7,12H2;1H.
What are the key properties of benzyl 2-amino-3-chloropropanoate;hydrochloride?
benzyl 2-amino-3-chloropropanoate;hydrochloride has a molecular weight of 250.12 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-3-chloropropanoate;hydrochloride is sourced from PubChem (CID 175069294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).