(2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride

C11H16BrClN2O2 — CID 56677292

IUPAC(2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride
SMILESCOC[C@@H](N)C(=O)NCc1ccc(Br)cc1.Cl
InChIInChI=1S/C11H15BrN2O2.ClH/c1-16-7-10(13)11(15)14-6-8-2-4-9(12)5-3-8;/h2-5,10H,6-7,13H2,1H3,(H,14,15);1H/t10-;/m1./s1
InChIKeyDAFZDIJCLGDTNV-HNCPQSOCSA-N
MW323.62 g/mol
LogP1.46
Rot. Bonds5

About (2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride

(2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride (PubChem CID 56677292) has the molecular formula C11H16BrClN2O2 and a molecular weight of 323.62 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride
PubChem CID56677292
Molecular FormulaC11H16BrClN2O2
Molecular Weight323.62 g/mol
Exact Mass322.01
IUPAC Name(2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride
SMILESCOC[C@@H](N)C(=O)NCc1ccc(Br)cc1.Cl
InChIInChI=1S/C11H15BrN2O2.ClH/c1-16-7-10(13)11(15)14-6-8-2-4-9(12)5-3-8;/h2-5,10H,6-7,13H2,1H3,(H,14,15);1H/t10-;/m1./s1
InChIKeyDAFZDIJCLGDTNV-HNCPQSOCSA-N
XLogP1.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride (CID 56677292) is (2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride is COC[C@@H](N)C(=O)NCc1ccc(Br)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is DAFZDIJCLGDTNV-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15BrN2O2.ClH/c1-16-7-10(13)11(15)14-6-8-2-4-9(12)5-3-8;/h2-5,10H,6-7,13H2,1H3,(H,14,15);1H/t10-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride?
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 323.62 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-bromophenyl)methyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 56677292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).