benzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate

C20H22N2O4 — CID 70342190

IUPACbenzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate
SMILESO=C(OCc1ccccc1)c1ccccc1NCC(=O)N1CCC(O)C1
InChIInChI=1S/C20H22N2O4/c23-16-10-11-22(13-16)19(24)12-21-18-9-5-4-8-17(18)20(25)26-14-15-6-2-1-3-7-15/h1-9,16,21,23H,10-14H2
InChIKeyCDFDHNAKKUSRMG-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.05
Rot. Bonds6

About benzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate

benzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate (PubChem CID 70342190) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is benzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namebenzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate
PubChem CID70342190
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namebenzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate
SMILESO=C(OCc1ccccc1)c1ccccc1NCC(=O)N1CCC(O)C1
InChIInChI=1S/C20H22N2O4/c23-16-10-11-22(13-16)19(24)12-21-18-9-5-4-8-17(18)20(25)26-14-15-6-2-1-3-7-15/h1-9,16,21,23H,10-14H2
InChIKeyCDFDHNAKKUSRMG-UHFFFAOYSA-N
XLogP2.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[(2-amino-2-oxoethyl)amino]benzoate
CID 19104093
methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate
CID 109006552
3-benzyl-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 111970521
benzyl N-[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamate;hydrochloride
CID 126843068
benzyl (2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoate
CID 168919986
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603115
benzyl 2-(1-hydroxypropan-2-ylamino)benzoate
CID 70188681
3-hydroxy-N-phenylmethoxypiperidine-1-carboxamide
CID 110933496
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 62941753
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate
CID 113008679
benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate
CID 68594622

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate?
The IUPAC name of benzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate (CID 70342190) is benzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for benzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate?
The canonical SMILES for benzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate is O=C(OCc1ccccc1)c1ccccc1NCC(=O)N1CCC(O)C1.
What is the InChIKey of benzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate?
The InChIKey is CDFDHNAKKUSRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-16-10-11-22(13-16)19(24)12-21-18-9-5-4-8-17(18)20(25)26-14-15-6-2-1-3-7-15/h1-9,16,21,23H,10-14H2.
What are the key properties of benzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate?
benzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 70342190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).