benzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate

C23H22N2O5 — CID 69117368

IUPACbenzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate
SMILESNC(=O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)o1)C(=O)OCc1ccccc1
InChIInChI=1S/C23H22N2O5/c24-21(26)14-11-18(23(28)29-15-16-7-3-1-4-8-16)25-22(27)20-13-12-19(30-20)17-9-5-2-6-10-17/h1-10,12-13,18H,11,14-15H2,(H2,24,26)(H,25,27)/t18-/m0/s1
InChIKeyOMKVQGTWTUNECE-SFHVURJKSA-N
MW406.44 g/mol
LogP3.05
Rot. Bonds9

About benzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate

benzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate (PubChem CID 69117368) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is benzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namebenzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate
PubChem CID69117368
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Namebenzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate
SMILESNC(=O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)o1)C(=O)OCc1ccccc1
InChIInChI=1S/C23H22N2O5/c24-21(26)14-11-18(23(28)29-15-16-7-3-1-4-8-16)25-22(27)20-13-12-19(30-20)17-9-5-2-6-10-17/h1-10,12-13,18H,11,14-15H2,(H2,24,26)(H,25,27)/t18-/m0/s1
InChIKeyOMKVQGTWTUNECE-SFHVURJKSA-N
XLogP3.05
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate 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

benzyl (2S)-2-acetamido-5-amino-5-oxopentanoate
CID 14420417
(2S)-2-[(5-phenylfuran-2-carbonyl)amino]butanedioic acid
CID 169205444
phenacyl (2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 7658599
sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride
CID 173433388
N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide
CID 82118234
benzyl 4-amino-2-benzamido-4-oxobutanoate
CID 14420399
(2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid
CID 40814315
benzyl (2S)-5-amino-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-oxopentanoate
CID 129388330
dibenzyl (2S)-2-(phenoxycarbonylamino)pentanedioate
CID 14420383
benzyl (2S)-5-amino-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-5-oxopentanoate
CID 164977448
dibenzyl 2-[(5-oxo-5-phenylmethoxypentanoyl)amino]pentanedioate
CID 123256099
methyl (2S)-2-[[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoate
CID 14127737

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate?
The IUPAC name of benzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate (CID 69117368) is benzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate.
What is the SMILES notation for benzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate?
The canonical SMILES for benzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate is NC(=O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)o1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate?
The InChIKey is OMKVQGTWTUNECE-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22N2O5/c24-21(26)14-11-18(23(28)29-15-16-7-3-1-4-8-16)25-22(27)20-13-12-19(30-20)17-9-5-2-6-10-17/h1-10,12-13,18H,11,14-15H2,(H2,24,26)(H,25,27)/t18-/m0/s1.
What are the key properties of benzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate?
benzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate has a molecular weight of 406.44 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-5-amino-5-oxo-2-[(5-phenylfuran-2-carbonyl)amino]pentanoate is sourced from PubChem (CID 69117368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).