benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate

C21H22N2O4 — CID 126005827

IUPACbenzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESC[C@@H](NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-15(17-10-6-3-7-11-17)22-20(25)18-12-13-19(24)23(18)21(26)27-14-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,22,25)/t15-,18-/m1/s1
InChIKeyPZMOTNCHVAFCHT-CRAIPNDOSA-N
MW366.42 g/mol
LogP3.19
Rot. Bonds5

About benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate

benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 126005827) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID126005827
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Namebenzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESC[C@@H](NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-15(17-10-6-3-7-11-17)22-20(25)18-12-13-19(24)23(18)21(26)27-14-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,22,25)/t15-,18-/m1/s1
InChIKeyPZMOTNCHVAFCHT-CRAIPNDOSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate
CID 684653
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
benzyl 2-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 3119491
benzyl (2S)-2-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 51420400
benzyl 2-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 3119490
benzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 3704549
benzyl (2S)-2-[[(2S)-1-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 18601000
dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 10642717
1-O-benzyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 54546875
benzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate
CID 4528753

Frequently Asked Questions

What is the IUPAC name of benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate (CID 126005827) is benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate is C[C@@H](NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is PZMOTNCHVAFCHT-CRAIPNDOSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-15(17-10-6-3-7-11-17)22-20(25)18-12-13-19(24)23(18)21(26)27-14-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,22,25)/t15-,18-/m1/s1.
What are the key properties of benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate?
benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 126005827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).