ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate

C19H22N2O5 — CID 52513406

IUPACethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate
SMILESCCOC(=O)[C@@H](CNC(=O)CNC(=O)c1ccco1)Cc1ccccc1
InChIInChI=1S/C19H22N2O5/c1-2-25-19(24)15(11-14-7-4-3-5-8-14)12-20-17(22)13-21-18(23)16-9-6-10-26-16/h3-10,15H,2,11-13H2,1H3,(H,20,22)(H,21,23)/t15-/m1/s1
InChIKeyQILSVQMZVPHOEU-OAHLLOKOSA-N
MW358.39 g/mol
LogP1.55
Rot. Bonds9

About ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate

ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate (PubChem CID 52513406) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate
PubChem CID52513406
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Nameethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate
SMILESCCOC(=O)[C@@H](CNC(=O)CNC(=O)c1ccco1)Cc1ccccc1
InChIInChI=1S/C19H22N2O5/c1-2-25-19(24)15(11-14-7-4-3-5-8-14)12-20-17(22)13-21-18(23)16-9-6-10-26-16/h3-10,15H,2,11-13H2,1H3,(H,20,22)(H,21,23)/t15-/m1/s1
InChIKeyQILSVQMZVPHOEU-OAHLLOKOSA-N
XLogP1.55
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate 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

2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid
CID 119232251
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
ethyl 2-benzyl-3-(12-methoxydodecanoylamino)propanoate
CID 15432308
ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate
CID 60612388
N-[2-oxo-2-(phenylmethoxyamino)ethyl]furan-2-carboxamide
CID 9227365
ethyl 2-benzyl-3-(isoquinoline-1-carbonylamino)propanoate
CID 60612136
ethyl 2-benzyl-3-(furan-2-yl)-3-oxopropanoate
CID 3804703
ethyl (2S)-2-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-3-phenylpropanoate
CID 94800392
2-benzyl-3-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]propanoic acid
CID 120525086
N-[2-oxo-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]ethyl]furan-2-carboxamide
CID 9225396
2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243012
N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
CID 2524355

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate?
The IUPAC name of ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate (CID 52513406) is ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate?
The canonical SMILES for ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate is CCOC(=O)[C@@H](CNC(=O)CNC(=O)c1ccco1)Cc1ccccc1.
What is the InChIKey of ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate?
The InChIKey is QILSVQMZVPHOEU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-2-25-19(24)15(11-14-7-4-3-5-8-14)12-20-17(22)13-21-18(23)16-9-6-10-26-16/h3-10,15H,2,11-13H2,1H3,(H,20,22)(H,21,23)/t15-/m1/s1.
What are the key properties of ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate?
ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate has a molecular weight of 358.39 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate is sourced from PubChem (CID 52513406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).