(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride

C10H14BrClN2O2 — CID 119292528

IUPAC(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(Br)cc1NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C10H13BrN2O2.ClH/c1-6(12)10(14)13-8-5-7(11)3-4-9(8)15-2;/h3-6H,12H2,1-2H3,(H,13,14);1H/t6-;/m0./s1
InChIKeyDWNCLWICHDWOLW-RGMNGODLSA-N
MW309.59 g/mol
LogP2.17
Rot. Bonds3

About (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride

(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride (PubChem CID 119292528) has the molecular formula C10H14BrClN2O2 and a molecular weight of 309.59 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
PubChem CID119292528
Molecular FormulaC10H14BrClN2O2
Molecular Weight309.59 g/mol
Exact Mass307.99
IUPAC Name(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(Br)cc1NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C10H13BrN2O2.ClH/c1-6(12)10(14)13-8-5-7(11)3-4-9(8)15-2;/h3-6H,12H2,1-2H3,(H,13,14);1H/t6-;/m0./s1
InChIKeyDWNCLWICHDWOLW-RGMNGODLSA-N
XLogP2.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.59
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 54967646
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CID 54967599
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
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2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910
3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide
CID 115180249
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide
CID 54967415
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
2-amino-4-(5-bromo-2-methoxyanilino)-4-oxobutanoic acid
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N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride (CID 119292528) is (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride is COc1ccc(Br)cc1NC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is DWNCLWICHDWOLW-RGMNGODLSA-N. The full InChI is InChI=1S/C10H13BrN2O2.ClH/c1-6(12)10(14)13-8-5-7(11)3-4-9(8)15-2;/h3-6H,12H2,1-2H3,(H,13,14);1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride?
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 309.59 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119292528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).