diphenyl (2S)-2-formamidopentanedioate

C18H17NO5 — CID 174477381

IUPACdiphenyl (2S)-2-formamidopentanedioate
SMILESO=CN[C@@H](CCC(=O)Oc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C18H17NO5/c20-13-19-16(18(22)24-15-9-5-2-6-10-15)11-12-17(21)23-14-7-3-1-4-8-14/h1-10,13,16H,11-12H2,(H,19,20)/t16-/m0/s1
InChIKeyZQBNBSLJUBMLHO-INIZCTEOSA-N
MW327.34 g/mol
LogP2.09
Rot. Bonds8

About diphenyl (2S)-2-formamidopentanedioate

diphenyl (2S)-2-formamidopentanedioate (PubChem CID 174477381) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is diphenyl (2S)-2-formamidopentanedioate.

Molecular Properties

Compound Namediphenyl (2S)-2-formamidopentanedioate
PubChem CID174477381
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Namediphenyl (2S)-2-formamidopentanedioate
SMILESO=CN[C@@H](CCC(=O)Oc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C18H17NO5/c20-13-19-16(18(22)24-15-9-5-2-6-10-15)11-12-17(21)23-14-7-3-1-4-8-14/h1-10,13,16H,11-12H2,(H,19,20)/t16-/m0/s1
InChIKeyZQBNBSLJUBMLHO-INIZCTEOSA-N
XLogP2.09
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl (2S)-2-formamido-3-methoxypropanoate
CID 101011313
5-(4-acetamidophenoxy)-2-formamido-5-oxopentanoic acid
CID 89168190
5-O-benzyl 1-O-methyl 2-formamidopentanedioate
CID 143275903
1-O-[12-(2-methyl-5-oxo-5-phenoxypentanoyl)oxydodecyl] 5-O-phenyl 2-methylpentanedioate
CID 170185282
phenyl 3-aminopropanoate;hydrochloride
CID 67243612
phenyl 4-hydroxyoctanoate
CID 174869154
diphenyl 2-methylbutanedioate
CID 19419895
diphenyl nonanedioate
CID 18428919
pyridin-3-yl (2S)-6-amino-2-formamidohexanoate
CID 18608205
phenyl 4-aminobutanoate
CID 54753951
tris(3-oxo-3-phenoxypropyl)stannanylium chloride
CID 23330179
phenyl butanoate
CID 20354

Frequently Asked Questions

What is the IUPAC name of diphenyl (2S)-2-formamidopentanedioate?
The IUPAC name of diphenyl (2S)-2-formamidopentanedioate (CID 174477381) is diphenyl (2S)-2-formamidopentanedioate.
What is the SMILES notation for diphenyl (2S)-2-formamidopentanedioate?
The canonical SMILES for diphenyl (2S)-2-formamidopentanedioate is O=CN[C@@H](CCC(=O)Oc1ccccc1)C(=O)Oc1ccccc1.
What is the InChIKey of diphenyl (2S)-2-formamidopentanedioate?
The InChIKey is ZQBNBSLJUBMLHO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17NO5/c20-13-19-16(18(22)24-15-9-5-2-6-10-15)11-12-17(21)23-14-7-3-1-4-8-14/h1-10,13,16H,11-12H2,(H,19,20)/t16-/m0/s1.
What are the key properties of diphenyl (2S)-2-formamidopentanedioate?
diphenyl (2S)-2-formamidopentanedioate has a molecular weight of 327.34 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl (2S)-2-formamidopentanedioate is sourced from PubChem (CID 174477381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).