benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate

C17H23N3O4 — CID 22814959

IUPACbenzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate
SMILESNC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C17H23N3O4/c18-16(22)13(20-17(23)14-7-4-10-19-14)8-9-15(21)24-11-12-5-2-1-3-6-12/h1-3,5-6,13-14,19H,4,7-11H2,(H2,18,22)(H,20,23)/t13-,14+/m1/s1
InChIKeyNSVYUZMZBVAEGD-KGLIPLIRSA-N
MW333.39 g/mol
LogP0.23
Rot. Bonds8

About benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate

benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate (PubChem CID 22814959) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate.

Molecular Properties

Compound Namebenzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate
PubChem CID22814959
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Namebenzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate
SMILESNC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C17H23N3O4/c18-16(22)13(20-17(23)14-7-4-10-19-14)8-9-15(21)24-11-12-5-2-1-3-6-12/h1-3,5-6,13-14,19H,4,7-11H2,(H2,18,22)(H,20,23)/t13-,14+/m1/s1
InChIKeyNSVYUZMZBVAEGD-KGLIPLIRSA-N
XLogP0.23
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate with MolForge

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Related Compounds

benzyl 3-(pyrrolidine-2-carbonylamino)butanoate
CID 18339709
benzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate
CID 154612158
benzyl (3S)-2-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
CID 54550045
benzyl 3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
CID 174989409
benzyl 3-[3-(pyrrolidine-2-carbonylamino)propanoylamino]propanoate
CID 129137633
(2S)-4-phenyl-2-(piperidine-2-carbonylamino)butanoic acid
CID 104983399
methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119290974
benzyl (4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoate
CID 12873811
(4S)-5-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 10118825
[(5S)-6-oxo-6-phenylmethoxy-5-[[(2S)-piperidine-2-carbonyl]amino]hexyl] benzoate;hydrochloride
CID 161374193
benzyl (4R)-5-amino-4-(2-aminobutanoylamino)-5-oxopentanoate
CID 22814955
(4S)-5-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxo-4-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-[[(2S)-piperidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]pentanoic acid
CID 131713746

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate?
The IUPAC name of benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate (CID 22814959) is benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate.
What is the SMILES notation for benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate?
The canonical SMILES for benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate is NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H]1CCCN1.
What is the InChIKey of benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate?
The InChIKey is NSVYUZMZBVAEGD-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H23N3O4/c18-16(22)13(20-17(23)14-7-4-10-19-14)8-9-15(21)24-11-12-5-2-1-3-6-12/h1-3,5-6,13-14,19H,4,7-11H2,(H2,18,22)(H,20,23)/t13-,14+/m1/s1.
What are the key properties of benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate?
benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate has a molecular weight of 333.39 g/mol, XLogP of 0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate is sourced from PubChem (CID 22814959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).