(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride

C11H16Cl2N2O2 — CID 119296049

IUPAC(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1ccc(Cl)cc1CNC(=O)[C@H](C)N.Cl
InChIInChI=1S/C11H15ClN2O2.ClH/c1-7(13)11(15)14-6-8-5-9(12)3-4-10(8)16-2;/h3-5,7H,6,13H2,1-2H3,(H,14,15);1H/t7-;/m0./s1
InChIKeyGFLVKJSSTWEMBA-FJXQXJEOSA-N
MW279.17 g/mol
LogP1.73
Rot. Bonds4

About (2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride

(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride (PubChem CID 119296049) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
PubChem CID119296049
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC Name(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1ccc(Cl)cc1CNC(=O)[C@H](C)N.Cl
InChIInChI=1S/C11H15ClN2O2.ClH/c1-7(13)11(15)14-6-8-5-9(12)3-4-10(8)16-2;/h3-5,7H,6,13H2,1-2H3,(H,14,15);1H/t7-;/m0./s1
InChIKeyGFLVKJSSTWEMBA-FJXQXJEOSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
(2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
CID 51690857
2-amino-3-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
CID 115240654
3-[(4-chloro-2-methoxyphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122065539
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119735604
(2S)-2-amino-N-[(4-chloro-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119779172
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120991501
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride (CID 119296049) is (2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride is COc1ccc(Cl)cc1CNC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride?
The InChIKey is GFLVKJSSTWEMBA-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H15ClN2O2.ClH/c1-7(13)11(15)14-6-8-5-9(12)3-4-10(8)16-2;/h3-5,7H,6,13H2,1-2H3,(H,14,15);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride?
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride has a molecular weight of 279.17 g/mol, XLogP of 1.73, 4 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-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119296049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).