methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride

C13H19ClN2O4 — CID 119284132

IUPACmethyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride
SMILESCOC(=O)COc1cccc(NC(=O)C(C)(C)N)c1.Cl
InChIInChI=1S/C13H18N2O4.ClH/c1-13(2,14)12(17)15-9-5-4-6-10(7-9)19-8-11(16)18-3;/h4-7H,8,14H2,1-3H3,(H,15,17);1H
InChIKeyJNCCUKHTQRKUHX-UHFFFAOYSA-N
MW302.76 g/mol
LogP1.34
Rot. Bonds5

About methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride

methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride (PubChem CID 119284132) has the molecular formula C13H19ClN2O4 and a molecular weight of 302.76 g/mol. Its IUPAC name is methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride
PubChem CID119284132
Molecular FormulaC13H19ClN2O4
Molecular Weight302.76 g/mol
Exact Mass302.10
IUPAC Namemethyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride
SMILESCOC(=O)COc1cccc(NC(=O)C(C)(C)N)c1.Cl
InChIInChI=1S/C13H18N2O4.ClH/c1-13(2,14)12(17)15-9-5-4-6-10(7-9)19-8-11(16)18-3;/h4-7H,8,14H2,1-3H3,(H,15,17);1H
InChIKeyJNCCUKHTQRKUHX-UHFFFAOYSA-N
XLogP1.34
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846147
methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate
CID 112728907
methyl 2-[3-(but-3-ynoylamino)phenoxy]acetate
CID 114028677
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
methyl 2-[3-(pent-4-ynoylamino)phenoxy]acetate
CID 114028678
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate
CID 17341883
2-amino-2-ethyl-N-(3-methoxyphenyl)butanamide
CID 79809500
methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 119713766

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride?
The IUPAC name of methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride (CID 119284132) is methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride?
The canonical SMILES for methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride is COC(=O)COc1cccc(NC(=O)C(C)(C)N)c1.Cl.
What is the InChIKey of methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride?
The InChIKey is JNCCUKHTQRKUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4.ClH/c1-13(2,14)12(17)15-9-5-4-6-10(7-9)19-8-11(16)18-3;/h4-7H,8,14H2,1-3H3,(H,15,17);1H.
What are the key properties of methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride?
methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride has a molecular weight of 302.76 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride is sourced from PubChem (CID 119284132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).