methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate

C15H23NO3 — CID 100984979

IUPACmethyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate
SMILESCC[C@H](N[C@H](C)[C@@H](OC)c1ccccc1)C(=O)OC
InChIInChI=1S/C15H23NO3/c1-5-13(15(17)19-4)16-11(2)14(18-3)12-9-7-6-8-10-12/h6-11,13-14,16H,5H2,1-4H3/t11-,13+,14-/m1/s1
InChIKeyAUEDHLVZOWWCME-KWCYVHTRSA-N
MW265.35 g/mol
LogP2.30
Rot. Bonds7

About methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate

methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate (PubChem CID 100984979) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate
PubChem CID100984979
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate
SMILESCC[C@H](N[C@H](C)[C@@H](OC)c1ccccc1)C(=O)OC
InChIInChI=1S/C15H23NO3/c1-5-13(15(17)19-4)16-11(2)14(18-3)12-9-7-6-8-10-12/h6-11,13-14,16H,5H2,1-4H3/t11-,13+,14-/m1/s1
InChIKeyAUEDHLVZOWWCME-KWCYVHTRSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate with MolForge

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Related Compounds

methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate
CID 10752293
ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
methyl (2R)-2-anilinobutanoate
CID 51891380
ethyl (2S)-2-(benzhydrylamino)butanoate
CID 102386822
methyl 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]butanoate
CID 113292653
methyl 2-[1-(3-bromophenyl)ethylamino]butanoate
CID 113292365
methyl 2-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 115353559
methyl (2R)-2-[(R)-methoxy(phenyl)methyl]-3,3-dimethylbutanoate
CID 10658335
methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3,3-dimethylbutanoate
CID 10538647
1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773234
2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid
CID 115353276
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate?
The IUPAC name of methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate (CID 100984979) is methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate.
What is the SMILES notation for methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate?
The canonical SMILES for methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate is CC[C@H](N[C@H](C)[C@@H](OC)c1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate?
The InChIKey is AUEDHLVZOWWCME-KWCYVHTRSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-13(15(17)19-4)16-11(2)14(18-3)12-9-7-6-8-10-12/h6-11,13-14,16H,5H2,1-4H3/t11-,13+,14-/m1/s1.
What are the key properties of methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate?
methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate is sourced from PubChem (CID 100984979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).