ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate

C17H25NO4 — CID 69028409

IUPACethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate
SMILESCCC[C@H](N[C@H](C)C(=O)OCc1ccccc1)C(=O)OCC
InChIInChI=1S/C17H25NO4/c1-4-9-15(17(20)21-5-2)18-13(3)16(19)22-12-14-10-7-6-8-11-14/h6-8,10-11,13,15,18H,4-5,9,12H2,1-3H3/t13-,15+/m1/s1
InChIKeyIRRWRQHUODGTBM-HIFRSBDPSA-N
MW307.39 g/mol
LogP2.44
Rot. Bonds9

About ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate

ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate (PubChem CID 69028409) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate
PubChem CID69028409
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nameethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate
SMILESCCC[C@H](N[C@H](C)C(=O)OCc1ccccc1)C(=O)OCC
InChIInChI=1S/C17H25NO4/c1-4-9-15(17(20)21-5-2)18-13(3)16(19)22-12-14-10-7-6-8-11-14/h6-8,10-11,13,15,18H,4-5,9,12H2,1-3H3/t13-,15+/m1/s1
InChIKeyIRRWRQHUODGTBM-HIFRSBDPSA-N
XLogP2.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate with MolForge

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Related Compounds

ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate
CID 13345970
(Z)-but-2-enedioic acid;ethyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate;propan-2-one
CID 157334965
ethyl 2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]octanoate
CID 14514518
benzyl (2S)-2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-4-methylpentanoate
CID 18597312
ethyl 2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 57110707
ethyl 3-benzylsulfanyl-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]propanoate
CID 57220112
(2S)-2-[[(2S)-1-oxo-1-phenylmethoxydecan-2-yl]amino]propanoic acid
CID 56615975
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 45049798
ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate
CID 22956502
2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid
CID 14036499
(2S)-2-[[(2R)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
CID 41092480

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate?
The IUPAC name of ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate (CID 69028409) is ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate.
What is the SMILES notation for ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate?
The canonical SMILES for ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate is CCC[C@H](N[C@H](C)C(=O)OCc1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate?
The InChIKey is IRRWRQHUODGTBM-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H25NO4/c1-4-9-15(17(20)21-5-2)18-13(3)16(19)22-12-14-10-7-6-8-11-14/h6-8,10-11,13,15,18H,4-5,9,12H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate?
ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate has a molecular weight of 307.39 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate is sourced from PubChem (CID 69028409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).