phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate

C20H22N2O3 — CID 126004394

IUPACphenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESC[C@H](NC(=O)[C@H]1CCCN1C(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-15(16-9-4-2-5-10-16)21-19(23)18-13-8-14-22(18)20(24)25-17-11-6-3-7-12-17/h2-7,9-12,15,18H,8,13-14H2,1H3,(H,21,23)/t15-,18+/m0/s1
InChIKeyHWCBXYNNNPRHCZ-MAUKXSAKSA-N
MW338.41 g/mol
LogP3.53
Rot. Bonds4

About phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate

phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 126004394) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID126004394
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namephenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESC[C@H](NC(=O)[C@H]1CCCN1C(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-15(16-9-4-2-5-10-16)21-19(23)18-13-8-14-22(18)20(24)25-17-11-6-3-7-12-17/h2-7,9-12,15,18H,8,13-14H2,1H3,(H,21,23)/t15-,18+/m0/s1
InChIKeyHWCBXYNNNPRHCZ-MAUKXSAKSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl (2S)-2-[[(2S)-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 41374824
(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 12739440
phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate
CID 3112487
phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 655757
1-N-butyl-2-N-(1-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 42702590
phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 800862
phenyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357683
(2S)-1-[(2S)-1-(3,5-diethoxybenzoyl)pyrrolidine-2-carbonyl]-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 50944085
phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 6543354
phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 774408
phenyl 2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127519
tert-butyl (2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 51968674

Frequently Asked Questions

What is the IUPAC name of phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate (CID 126004394) is phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate is C[C@H](NC(=O)[C@H]1CCCN1C(=O)Oc1ccccc1)c1ccccc1.
What is the InChIKey of phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is HWCBXYNNNPRHCZ-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15(16-9-4-2-5-10-16)21-19(23)18-13-8-14-22(18)20(24)25-17-11-6-3-7-12-17/h2-7,9-12,15,18H,8,13-14H2,1H3,(H,21,23)/t15-,18+/m0/s1.
What are the key properties of phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate?
phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 126004394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).