methyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate

C24H29N3O8 — CID 15344425

IUPACmethyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C24H29N3O8/c1-33-21(29)12-25-22(30)20(16-34-14-17-8-4-2-5-9-17)26-23(31)19(13-28)27-24(32)35-15-18-10-6-3-7-11-18/h2-11,19-20,28H,12-16H2,1H3,(H,25,30)(H,26,31)(H,27,32)/t19-,20-/m0/s1
InChIKeyFIVOIUOUWSADOG-PMACEKPBSA-N
MW487.51 g/mol
LogP0.26
Rot. Bonds13

About methyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate

methyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate (PubChem CID 15344425) has the molecular formula C24H29N3O8 and a molecular weight of 487.51 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate
PubChem CID15344425
Molecular FormulaC24H29N3O8
Molecular Weight487.51 g/mol
Exact Mass487.20
IUPAC Namemethyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C24H29N3O8/c1-33-21(29)12-25-22(30)20(16-34-14-17-8-4-2-5-9-17)26-23(31)19(13-28)27-24(32)35-15-18-10-6-3-7-11-18/h2-11,19-20,28H,12-16H2,1H3,(H,25,30)(H,26,31)(H,27,32)/t19-,20-/m0/s1
InChIKeyFIVOIUOUWSADOG-PMACEKPBSA-N
XLogP0.26
TPSA152.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]acetate
CID 70560818
ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
CID 658436
methyl 2-[[2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]acetate
CID 91557425
benzyl N-[1-[(1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 165355789
methyl (2R)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-sulfanylpropanoate
CID 175774045
methyl (2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 14777794
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
(2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 78319243
benzyl N-[(2S)-1-[[2-[[(2S)-1-[[(3S)-1-chloro-5-methyl-2-oxohexan-3-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 131714621
methyl 2-[[(2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate
CID 13372687
methyl 3-hydroxy-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
CID 4100748
benzyl N-[(2S)-1-chloro-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
CID 101344202

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate?
The IUPAC name of methyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate (CID 15344425) is methyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate is COC(=O)CNC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate?
The InChIKey is FIVOIUOUWSADOG-PMACEKPBSA-N. The full InChI is InChI=1S/C24H29N3O8/c1-33-21(29)12-25-22(30)20(16-34-14-17-8-4-2-5-9-17)26-23(31)19(13-28)27-24(32)35-15-18-10-6-3-7-11-18/h2-11,19-20,28H,12-16H2,1H3,(H,25,30)(H,26,31)(H,27,32)/t19-,20-/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate?
methyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate has a molecular weight of 487.51 g/mol, XLogP of 0.26, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate is sourced from PubChem (CID 15344425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).