methyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride

C18H20Cl2N2O3 — CID 18518133

IUPACmethyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride
SMILESCOC(=O)CC(NC(=O)CN)c1ccc(-c2cccc(Cl)c2)cc1.Cl
InChIInChI=1S/C18H19ClN2O3.ClH/c1-24-18(23)10-16(21-17(22)11-20)13-7-5-12(6-8-13)14-3-2-4-15(19)9-14;/h2-9,16H,10-11,20H2,1H3,(H,21,22);1H
InChIKeyBSPRHGLELYGBRE-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.11
Rot. Bonds6

About methyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride

methyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride (PubChem CID 18518133) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is methyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride
PubChem CID18518133
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC Namemethyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride
SMILESCOC(=O)CC(NC(=O)CN)c1ccc(-c2cccc(Cl)c2)cc1.Cl
InChIInChI=1S/C18H19ClN2O3.ClH/c1-24-18(23)10-16(21-17(22)11-20)13-7-5-12(6-8-13)14-3-2-4-15(19)9-14;/h2-9,16H,10-11,20H2,1H3,(H,21,22);1H
InChIKeyBSPRHGLELYGBRE-UHFFFAOYSA-N
XLogP3.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-aminoacetyl)amino]-3-(4-naphthalen-1-ylphenyl)propanoate
CID 18518025
methyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate
CID 55668550
methyl (3S)-3-[(2-aminoacetyl)amino]-3-[4-methyl-3-(trifluoromethyl)phenyl]propanoate
CID 157046783
methyl 3-(3-aminopropanoylamino)-3-phenylpropanoate;hydrochloride
CID 119274310
methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015
methyl 3-[(2-aminoacetyl)amino]-3-[3-(trifluoromethoxy)phenyl]propanoate
CID 18518052
methyl 3-[(2-aminoacetyl)amino]-3-(4-phenylphenyl)propanoate;methyl 3-(4-phenylphenyl)-3-[[2-[4-(pyrimidin-2-ylamino)butanoylamino]acetyl]amino]propanoate;hydrochloride
CID 159855902
methyl (3S)-3-[(2-aminoacetyl)amino]-3-[4-fluoro-3-(trifluoromethoxy)phenyl]propanoate
CID 166849593
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate
CID 55440377
2-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]acetamide
CID 110477641

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride?
The IUPAC name of methyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride (CID 18518133) is methyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride is COC(=O)CC(NC(=O)CN)c1ccc(-c2cccc(Cl)c2)cc1.Cl.
What is the InChIKey of methyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride?
The InChIKey is BSPRHGLELYGBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3.ClH/c1-24-18(23)10-16(21-17(22)11-20)13-7-5-12(6-8-13)14-3-2-4-15(19)9-14;/h2-9,16H,10-11,20H2,1H3,(H,21,22);1H.
What are the key properties of methyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride?
methyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride has a molecular weight of 383.28 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride is sourced from PubChem (CID 18518133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).