ethyl (2S)-2-(benzhydrylamino)butanoate

C19H23NO2 — CID 102386822

IUPACethyl (2S)-2-(benzhydrylamino)butanoate
SMILESCCOC(=O)[C@H](CC)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-3-17(19(21)22-4-2)20-18(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18,20H,3-4H2,1-2H3/t17-/m0/s1
InChIKeyAOIYRDSUGGNYEL-KRWDZBQOSA-N
MW297.40 g/mol
LogP3.71
Rot. Bonds7

About ethyl (2S)-2-(benzhydrylamino)butanoate

ethyl (2S)-2-(benzhydrylamino)butanoate (PubChem CID 102386822) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl (2S)-2-(benzhydrylamino)butanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(benzhydrylamino)butanoate
PubChem CID102386822
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nameethyl (2S)-2-(benzhydrylamino)butanoate
SMILESCCOC(=O)[C@H](CC)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-3-17(19(21)22-4-2)20-18(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18,20H,3-4H2,1-2H3/t17-/m0/s1
InChIKeyAOIYRDSUGGNYEL-KRWDZBQOSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
ethyl (2R)-2-(benzhydrylamino)-4-phenylpent-4-enoate
CID 58666213
2-(benzhydrylamino)pentanoic acid
CID 65055273
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 3-(benzhydrylamino)-4-methylpentanoate
CID 23067229
ethyl 2-phenylbutanoate;sulfane
CID 174662373
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate
CID 53342756
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
ethyl 2-[1-(4-bromophenyl)ethylamino]butanoate
CID 64669154

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(benzhydrylamino)butanoate?
The IUPAC name of ethyl (2S)-2-(benzhydrylamino)butanoate (CID 102386822) is ethyl (2S)-2-(benzhydrylamino)butanoate.
What is the SMILES notation for ethyl (2S)-2-(benzhydrylamino)butanoate?
The canonical SMILES for ethyl (2S)-2-(benzhydrylamino)butanoate is CCOC(=O)[C@H](CC)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-(benzhydrylamino)butanoate?
The InChIKey is AOIYRDSUGGNYEL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-17(19(21)22-4-2)20-18(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18,20H,3-4H2,1-2H3/t17-/m0/s1.
What are the key properties of ethyl (2S)-2-(benzhydrylamino)butanoate?
ethyl (2S)-2-(benzhydrylamino)butanoate has a molecular weight of 297.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(benzhydrylamino)butanoate is sourced from PubChem (CID 102386822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).