(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride

C10H14BrClN2O2 — CID 119290157

IUPAC(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1cc(NC(=O)[C@H](C)N)ccc1Br.Cl
InChIInChI=1S/C10H13BrN2O2.ClH/c1-6(12)10(14)13-7-3-4-8(11)9(5-7)15-2;/h3-6H,12H2,1-2H3,(H,13,14);1H/t6-;/m0./s1
InChIKeyAIADJJDPRDFCMZ-RGMNGODLSA-N
MW309.59 g/mol
LogP2.17
Rot. Bonds3

About (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride

(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride (PubChem CID 119290157) has the molecular formula C10H14BrClN2O2 and a molecular weight of 309.59 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride
PubChem CID119290157
Molecular FormulaC10H14BrClN2O2
Molecular Weight309.59 g/mol
Exact Mass307.99
IUPAC Name(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1cc(NC(=O)[C@H](C)N)ccc1Br.Cl
InChIInChI=1S/C10H13BrN2O2.ClH/c1-6(12)10(14)13-7-3-4-8(11)9(5-7)15-2;/h3-6H,12H2,1-2H3,(H,13,14);1H/t6-;/m0./s1
InChIKeyAIADJJDPRDFCMZ-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-(4-bromo-3-methoxyphenyl)-3-methylpentanamide
CID 113314970
(2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide
CID 81425486
N-(4-bromo-3-methoxyphenyl)-3-methyl-2-sulfanylbutanamide
CID 107033761
2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
4-amino-5-(4-bromo-3-methoxyanilino)-5-oxopentanoic acid
CID 82867308
2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 115443247
(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 119289355
N-[(4-bromo-3-methoxyphenyl)carbamoyl]-2-chloropropanamide
CID 82860607
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368
2-amino-N-(3-bromo-4-methylphenyl)propanamide
CID 63334898
(2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide
CID 130163220
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
CID 119292528

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride (CID 119290157) is (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride is COc1cc(NC(=O)[C@H](C)N)ccc1Br.Cl.
What is the InChIKey of (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is AIADJJDPRDFCMZ-RGMNGODLSA-N. The full InChI is InChI=1S/C10H13BrN2O2.ClH/c1-6(12)10(14)13-7-3-4-8(11)9(5-7)15-2;/h3-6H,12H2,1-2H3,(H,13,14);1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride?
(2S)-2-amino-N-(4-bromo-3-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-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119290157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).