ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate

C17H23N3O6 — CID 23278167

IUPACethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CNC(=O)C(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H23N3O6/c1-3-25-15(22)10-18-14(21)9-19-16(23)12(2)20-17(24)26-11-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,18,21)(H,19,23)(H,20,24)
InChIKeyKWDMCDHDYAQNAW-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.10
Rot. Bonds9

About ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate

ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate (PubChem CID 23278167) has the molecular formula C17H23N3O6 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate
PubChem CID23278167
Molecular FormulaC17H23N3O6
Molecular Weight365.39 g/mol
Exact Mass365.16
IUPAC Nameethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CNC(=O)C(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H23N3O6/c1-3-25-15(22)10-18-14(21)9-19-16(23)12(2)20-17(24)26-11-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,18,21)(H,19,23)(H,20,24)
InChIKeyKWDMCDHDYAQNAW-UHFFFAOYSA-N
XLogP0.10
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-[[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetate
CID 131720212
ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
CID 658436
ethyl 2-[2-[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]hydrazinyl]acetate
CID 10992887
benzyl N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate
CID 26005830
benzyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 10980600
ethyl (4S)-5-[(2-ethoxy-2-oxoethyl)amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
CID 102461717
benzyl N-[(2S)-1-[(3-chloro-2-oxopropyl)amino]-1-oxopropan-2-yl]carbamate
CID 118798323
4-amino-4-oxo-2-[[2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]butanoic acid
CID 166977544
ethyl 3-oxo-4-(phenylmethoxycarbonylamino)pentanoate
CID 68727772
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
methyl 2-[[2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]acetate
CID 70560818
methyl 2-[[2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]acetate
CID 91557425

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate (CID 23278167) is ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate is CCOC(=O)CNC(=O)CNC(=O)C(C)NC(=O)OCc1ccccc1.
What is the InChIKey of ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate?
The InChIKey is KWDMCDHDYAQNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6/c1-3-25-15(22)10-18-14(21)9-19-16(23)12(2)20-17(24)26-11-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,18,21)(H,19,23)(H,20,24).
What are the key properties of ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate?
ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate has a molecular weight of 365.39 g/mol, XLogP of 0.10, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate is sourced from PubChem (CID 23278167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).