benzyl (2R)-2-methyl-3-(methylamino)propanoate

C12H17NO2 — CID 131170402

IUPACbenzyl (2R)-2-methyl-3-(methylamino)propanoate
SMILESCNC[C@@H](C)C(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(8-13-2)12(14)15-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3/t10-/m1/s1
InChIKeyDSEDMNPCBPDRKU-SNVBAGLBSA-N
MW207.27 g/mol
LogP1.59
Rot. Bonds5

About benzyl (2R)-2-methyl-3-(methylamino)propanoate

benzyl (2R)-2-methyl-3-(methylamino)propanoate (PubChem CID 131170402) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is benzyl (2R)-2-methyl-3-(methylamino)propanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-methyl-3-(methylamino)propanoate
PubChem CID131170402
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namebenzyl (2R)-2-methyl-3-(methylamino)propanoate
SMILESCNC[C@@H](C)C(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(8-13-2)12(14)15-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3/t10-/m1/s1
InChIKeyDSEDMNPCBPDRKU-SNVBAGLBSA-N
XLogP1.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R)-2-amino-3-(methylamino)propanoate
CID 95383646
benzyl 2-methyl-3-(sulfamoylamino)propanoate
CID 174669521
benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate
CID 22876656
benzyl 3-(2,2-difluoroethylamino)-2-methylpropanoate
CID 106484104
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
benzyl 2-methyl-3-(prop-2-ynylamino)propanoate
CID 106483863
(2S)-4-methyl-2-[(2-methyl-3-oxo-3-phenylmethoxypropyl)amino]pentanoic acid
CID 18661239
benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate
CID 106484144
benzyl 3-(butylamino)-2-methylpropanoate
CID 106483881
benzyl 3-(2-iodoanilino)-2-methylpropanoate
CID 106483912
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
CID 144967680

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-methyl-3-(methylamino)propanoate?
The IUPAC name of benzyl (2R)-2-methyl-3-(methylamino)propanoate (CID 131170402) is benzyl (2R)-2-methyl-3-(methylamino)propanoate.
What is the SMILES notation for benzyl (2R)-2-methyl-3-(methylamino)propanoate?
The canonical SMILES for benzyl (2R)-2-methyl-3-(methylamino)propanoate is CNC[C@@H](C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-methyl-3-(methylamino)propanoate?
The InChIKey is DSEDMNPCBPDRKU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(8-13-2)12(14)15-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of benzyl (2R)-2-methyl-3-(methylamino)propanoate?
benzyl (2R)-2-methyl-3-(methylamino)propanoate has a molecular weight of 207.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-methyl-3-(methylamino)propanoate is sourced from PubChem (CID 131170402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).