ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate

C15H20N2O6 — CID 658436

IUPACethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O6/c1-2-22-13(19)8-16-14(20)12(9-18)17-15(21)23-10-11-6-4-3-5-7-11/h3-7,12,18H,2,8-10H2,1H3,(H,16,20)(H,17,21)
InChIKeyZOONJGSLKPDXCV-UHFFFAOYSA-N
MW324.33 g/mol
LogP-0.05
Rot. Bonds8

About ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate

ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate (PubChem CID 658436) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
PubChem CID658436
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Nameethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O6/c1-2-22-13(19)8-16-14(20)12(9-18)17-15(21)23-10-11-6-4-3-5-7-11/h3-7,12,18H,2,8-10H2,1H3,(H,16,20)(H,17,21)
InChIKeyZOONJGSLKPDXCV-UHFFFAOYSA-N
XLogP-0.05
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (4S)-5-[(2-ethoxy-2-oxoethyl)amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
CID 102461717
methyl 2-[[2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]acetate
CID 70560818
methyl 2-[[(2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylmethoxypropanoyl]amino]acetate
CID 15344425
ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate
CID 23278167
ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 53344986
ethyl 2-[[(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
CID 10622194
diethyl (2S)-2-(phenylmethoxycarbonylamino)butanedioate
CID 10871014
benzyl 2-(ethoxycarbonylamino)-3-hydroxypropanoate;hydrate
CID 174458411
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
benzyl N-[1-[(1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 165355789
ethyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130151248
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-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate (CID 658436) is ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate is CCOC(=O)CNC(=O)C(CO)NC(=O)OCc1ccccc1.
What is the InChIKey of ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate?
The InChIKey is ZOONJGSLKPDXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-2-22-13(19)8-16-14(20)12(9-18)17-15(21)23-10-11-6-4-3-5-7-11/h3-7,12,18H,2,8-10H2,1H3,(H,16,20)(H,17,21).
What are the key properties of ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate?
ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate has a molecular weight of 324.33 g/mol, XLogP of -0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate is sourced from PubChem (CID 658436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).