methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate

C14H21NO4 — CID 142473435

IUPACmethyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate
SMILESCOC(=O)[C@@H](C)NCc1ccccc1C(OC)OC
InChIInChI=1S/C14H21NO4/c1-10(13(16)17-2)15-9-11-7-5-6-8-12(11)14(18-3)19-4/h5-8,10,14-15H,9H2,1-4H3/t10-/m1/s1
InChIKeyXLTQBCCKZHMVCU-SNVBAGLBSA-N
MW267.33 g/mol
LogP1.63
Rot. Bonds7

About methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate

methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate (PubChem CID 142473435) has the molecular formula C14H21NO4 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate
PubChem CID142473435
Molecular FormulaC14H21NO4
Molecular Weight267.33 g/mol
Exact Mass267.15
IUPAC Namemethyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate
SMILESCOC(=O)[C@@H](C)NCc1ccccc1C(OC)OC
InChIInChI=1S/C14H21NO4/c1-10(13(16)17-2)15-9-11-7-5-6-8-12(11)14(18-3)19-4/h5-8,10,14-15H,9H2,1-4H3/t10-/m1/s1
InChIKeyXLTQBCCKZHMVCU-SNVBAGLBSA-N
XLogP1.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699
methyl 2-[(2-bromophenyl)methylamino]propanoate
CID 60691069
ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate
CID 171060467
methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate
CID 66172279
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoate
CID 60780617
methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate
CID 19801625
ethyl 2-[(2-ethylphenyl)methylamino]propanoate
CID 62391416
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate?
The IUPAC name of methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate (CID 142473435) is methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate?
The canonical SMILES for methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate is COC(=O)[C@@H](C)NCc1ccccc1C(OC)OC.
What is the InChIKey of methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate?
The InChIKey is XLTQBCCKZHMVCU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(13(16)17-2)15-9-11-7-5-6-8-12(11)14(18-3)19-4/h5-8,10,14-15H,9H2,1-4H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate?
methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate has a molecular weight of 267.33 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate is sourced from PubChem (CID 142473435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).