methyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate

C13H17Cl2NO3 — CID 97253468

IUPACmethyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate
SMILESCOC[C@@](C)(NCc1ccc(Cl)cc1Cl)C(=O)OC
InChIInChI=1S/C13H17Cl2NO3/c1-13(8-18-2,12(17)19-3)16-7-9-4-5-10(14)6-11(9)15/h4-6,16H,7-8H2,1-3H3/t13-/m1/s1
InChIKeySDQOSLMIOBXKOH-CYBMUJFWSA-N
MW306.19 g/mol
LogP2.66
Rot. Bonds6

About methyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate

methyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate (PubChem CID 97253468) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is methyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate
PubChem CID97253468
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Namemethyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate
SMILESCOC[C@@](C)(NCc1ccc(Cl)cc1Cl)C(=O)OC
InChIInChI=1S/C13H17Cl2NO3/c1-13(8-18-2,12(17)19-3)16-7-9-4-5-10(14)6-11(9)15/h4-6,16H,7-8H2,1-3H3/t13-/m1/s1
InChIKeySDQOSLMIOBXKOH-CYBMUJFWSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate
CID 96539434
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate
CID 30876031
methyl 2-[(5-chloro-2-hydroxyphenyl)methylamino]-2-methylpropanoate
CID 43726101
methyl 2-[(2,4-dichlorophenyl)methylsulfonyloxy]-2-methylpropanoate
CID 22592997
3-chloro-N'-hydroxy-4-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]benzenecarboximidamide
CID 102667453
methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-methylpropanoate
CID 66159734
methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43230186
tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate
CID 107238824
tert-butyl N-[1-[(2,4-dichlorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249857
methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate
CID 43679189
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide
CID 28684550

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate?
The IUPAC name of methyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate (CID 97253468) is methyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate?
The canonical SMILES for methyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate is COC[C@@](C)(NCc1ccc(Cl)cc1Cl)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate?
The InChIKey is SDQOSLMIOBXKOH-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-13(8-18-2,12(17)19-3)16-7-9-4-5-10(14)6-11(9)15/h4-6,16H,7-8H2,1-3H3/t13-/m1/s1.
What are the key properties of methyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate?
methyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate has a molecular weight of 306.19 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate is sourced from PubChem (CID 97253468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).