methyl (2S)-2-[(benzhydrylamino)methyl]butanoate

C19H23NO2 — CID 171614012

IUPACmethyl (2S)-2-[(benzhydrylamino)methyl]butanoate
SMILESCC[C@@H](CNC(c1ccccc1)c1ccccc1)C(=O)OC
InChIInChI=1S/C19H23NO2/c1-3-15(19(21)22-2)14-20-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18,20H,3,14H2,1-2H3/t15-/m0/s1
InChIKeyUFLKROJIKTWJNR-HNNXBMFYSA-N
MW297.40 g/mol
LogP3.56
Rot. Bonds7

About methyl (2S)-2-[(benzhydrylamino)methyl]butanoate

methyl (2S)-2-[(benzhydrylamino)methyl]butanoate (PubChem CID 171614012) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is methyl (2S)-2-[(benzhydrylamino)methyl]butanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(benzhydrylamino)methyl]butanoate
PubChem CID171614012
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Namemethyl (2S)-2-[(benzhydrylamino)methyl]butanoate
SMILESCC[C@@H](CNC(c1ccccc1)c1ccccc1)C(=O)OC
InChIInChI=1S/C19H23NO2/c1-3-15(19(21)22-2)14-20-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18,20H,3,14H2,1-2H3/t15-/m0/s1
InChIKeyUFLKROJIKTWJNR-HNNXBMFYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzhydrylamino)-2-methylpropanamide
CID 43312171
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
[(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride
CID 10856539
methyl 2-deuterio-2-phenylpropanoate
CID 11984149
methyl 2-acetamido-3-(1-phenylpropylamino)propanoate
CID 103248077
methyl 2-phenylpropanoate;sulfuryl dichloride
CID 174591515
methyl 3-phenylsulfanyl-2-(phenylsulfanylmethyl)propanoate
CID 13347330
3-ethyl-1-methoxy-1-phenylpentan-2-one
CID 116751408
methyl 2-[(4-butan-2-ylanilino)methyl]butanoate
CID 115252982
ethyl (2S)-2-(benzhydrylamino)butanoate
CID 102386822
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(benzhydrylamino)methyl]butanoate?
The IUPAC name of methyl (2S)-2-[(benzhydrylamino)methyl]butanoate (CID 171614012) is methyl (2S)-2-[(benzhydrylamino)methyl]butanoate.
What is the SMILES notation for methyl (2S)-2-[(benzhydrylamino)methyl]butanoate?
The canonical SMILES for methyl (2S)-2-[(benzhydrylamino)methyl]butanoate is CC[C@@H](CNC(c1ccccc1)c1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[(benzhydrylamino)methyl]butanoate?
The InChIKey is UFLKROJIKTWJNR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-15(19(21)22-2)14-20-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18,20H,3,14H2,1-2H3/t15-/m0/s1.
What are the key properties of methyl (2S)-2-[(benzhydrylamino)methyl]butanoate?
methyl (2S)-2-[(benzhydrylamino)methyl]butanoate has a molecular weight of 297.40 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(benzhydrylamino)methyl]butanoate is sourced from PubChem (CID 171614012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).