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

C10H14BrClN2O2 — CID 142480144

IUPAC(2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride
SMILESCl.N[C@H](CO)C(=O)NCc1cccc(Br)c1
InChIInChI=1S/C10H13BrN2O2.ClH/c11-8-3-1-2-7(4-8)5-13-10(15)9(12)6-14;/h1-4,9,14H,5-6,12H2,(H,13,15);1H/t9-;/m1./s1
InChIKeyLTHZJPUIRKKCIN-SBSPUUFOSA-N
MW309.59 g/mol
LogP0.81
Rot. Bonds4

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

(2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride (PubChem CID 142480144) has the molecular formula C10H14BrClN2O2 and a molecular weight of 309.59 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride
PubChem CID142480144
Molecular FormulaC10H14BrClN2O2
Molecular Weight309.59 g/mol
Exact Mass307.99
IUPAC Name(2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride
SMILESCl.N[C@H](CO)C(=O)NCc1cccc(Br)c1
InChIInChI=1S/C10H13BrN2O2.ClH/c11-8-3-1-2-7(4-8)5-13-10(15)9(12)6-14;/h1-4,9,14H,5-6,12H2,(H,13,15);1H/t9-;/m1./s1
InChIKeyLTHZJPUIRKKCIN-SBSPUUFOSA-N
XLogP0.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.59
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride
CID 119279834
(2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide
CID 103831227
2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide
CID 81089386
2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide
CID 115180213
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide
CID 65229446
2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
CID 115179814
2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide
CID 61401625
(2R)-2-[(3-bromophenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 80756236
3-amino-N-[(3-bromophenyl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 62877573
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride (CID 142480144) is (2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride is Cl.N[C@H](CO)C(=O)NCc1cccc(Br)c1.
What is the InChIKey of (2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride?
The InChIKey is LTHZJPUIRKKCIN-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H13BrN2O2.ClH/c11-8-3-1-2-7(4-8)5-13-10(15)9(12)6-14;/h1-4,9,14H,5-6,12H2,(H,13,15);1H/t9-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride?
(2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride has a molecular weight of 309.59 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride is sourced from PubChem (CID 142480144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).