methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride

C19H23ClN2O4 — CID 119299831

IUPACmethyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride
SMILESCOC(=O)COc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)c(C)c1.Cl
InChIInChI=1S/C19H22N2O4.ClH/c1-13-10-15(25-12-18(22)24-2)8-9-17(13)21-19(23)16(20)11-14-6-4-3-5-7-14;/h3-10,16H,11-12,20H2,1-2H3,(H,21,23);1H/t16-;/m0./s1
InChIKeyFNVWRPSUWZLJIU-NTISSMGPSA-N
MW378.86 g/mol
LogP2.48
Rot. Bonds7

About methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride

methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride (PubChem CID 119299831) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride
PubChem CID119299831
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Namemethyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride
SMILESCOC(=O)COc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)c(C)c1.Cl
InChIInChI=1S/C19H22N2O4.ClH/c1-13-10-15(25-12-18(22)24-2)8-9-17(13)21-19(23)16(20)11-14-6-4-3-5-7-14;/h3-10,16H,11-12,20H2,1-2H3,(H,21,23);1H/t16-;/m0./s1
InChIKeyFNVWRPSUWZLJIU-NTISSMGPSA-N
XLogP2.48
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride with MolForge

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Related Compounds

(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
CID 43708097
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 22691240
methyl 2-[4-[(2-anilino-2-oxoethyl)amino]-3-methylphenoxy]acetate
CID 60538614
2-amino-3-methoxy-N-[2-methyl-4-(1-phenylethoxy)phenyl]propanamide
CID 120988950
methyl 2-[4-[2-(4-methoxyphenyl)sulfanylpropanoylamino]-3-methylphenoxy]acetate
CID 55915988
methyl 2-[4-(4-aminobutanoylamino)-3-methylphenoxy]acetate
CID 119299848
methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate
CID 119742503
methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate
CID 55916365
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671
(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
CID 103586069

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride?
The IUPAC name of methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride (CID 119299831) is methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride?
The canonical SMILES for methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride is COC(=O)COc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)c(C)c1.Cl.
What is the InChIKey of methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride?
The InChIKey is FNVWRPSUWZLJIU-NTISSMGPSA-N. The full InChI is InChI=1S/C19H22N2O4.ClH/c1-13-10-15(25-12-18(22)24-2)8-9-17(13)21-19(23)16(20)11-14-6-4-3-5-7-14;/h3-10,16H,11-12,20H2,1-2H3,(H,21,23);1H/t16-;/m0./s1.
What are the key properties of methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride?
methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride is sourced from PubChem (CID 119299831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).