methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate

C12H16ClNO2 — CID 93035184

IUPACmethyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CNCc1ccccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-9(12(15)16-2)7-14-8-10-5-3-4-6-11(10)13/h3-6,9,14H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyCMAHLTYYUYEYLO-SECBINFHSA-N
MW241.72 g/mol
LogP2.24
Rot. Bonds5

About methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate

methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate (PubChem CID 93035184) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
PubChem CID93035184
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Namemethyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CNCc1ccccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-9(12(15)16-2)7-14-8-10-5-3-4-6-11(10)13/h3-6,9,14H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyCMAHLTYYUYEYLO-SECBINFHSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 43398429
methyl 3-[(2-hydroxyphenyl)methylamino]-2-methylpropanoate
CID 114332021
methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate
CID 103491926
methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate
CID 60649455
methyl 2-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]propanoate
CID 62881824
methyl (2S)-3-(benzylamino)-2-methylpropanoate
CID 7020995
methyl 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]acetate
CID 78845715
methyl 3-[[N-[2-(2-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]-2-methylpropanoate
CID 111883231
methyl 2-[(2-chlorophenyl)methylcarbamoylamino]-4-methylpentanoate
CID 3840531
methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410
methyl 2-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 78842701
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide
CID 51471613

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate (CID 93035184) is methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate is COC(=O)[C@H](C)CNCc1ccccc1Cl.
What is the InChIKey of methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate?
The InChIKey is CMAHLTYYUYEYLO-SECBINFHSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9(12(15)16-2)7-14-8-10-5-3-4-6-11(10)13/h3-6,9,14H,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate?
methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate has a molecular weight of 241.72 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate is sourced from PubChem (CID 93035184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).