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

C16H22N2O3 — CID 168891072

IUPACethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCN1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-3-21-15(19)14-10-7-11-18(14)16(20)17-12(2)13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3,(H,17,20)/t12-,14-/m1/s1
InChIKeySXEFJERBIHVBAC-TZMCWYRMSA-N
MW290.36 g/mol
LogP2.48
Rot. Bonds4

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

ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate (PubChem CID 168891072) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate
PubChem CID168891072
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCN1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-3-21-15(19)14-10-7-11-18(14)16(20)17-12(2)13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3,(H,17,20)/t12-,14-/m1/s1
InChIKeySXEFJERBIHVBAC-TZMCWYRMSA-N
XLogP2.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61370169
ethyl (3R)-1-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]piperidine-3-carboxylate
CID 27069320
1-N-butyl-2-N-(1-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 42702590
ethyl (2S)-1-[(2R)-2-(dibenzylamino)-2-phenylacetyl]pyrrolidine-2-carboxylate
CID 57386993
3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071187
ethyl 1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)pyrrolidine-2-carboxylate
CID 66396737
ethyl 1-(3-phenylprop-2-ynoyl)piperidine-2-carboxylate
CID 79490156
ethyl 1-(3-phenylprop-2-enoyl)pyrrolidine-2-carboxylate
CID 4266846
ethyl 1-(2-cyano-2-phenylethyl)pyrrolidine-2-carboxylate
CID 64536050
2-O-[(1S,3S)-3-[(2S)-1-ethoxycarbonylpyrrolidine-2-carbonyl]oxy-2,2-dimethyl-1,3-diphenylpropyl] 1-O-ethyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 134880382
(2S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 54960242
(2S)-1-[(2S)-1-(3,5-diethoxybenzoyl)pyrrolidine-2-carbonyl]-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 50944085

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate (CID 168891072) is ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate is CCOC(=O)[C@H]1CCCN1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate?
The InChIKey is SXEFJERBIHVBAC-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-21-15(19)14-10-7-11-18(14)16(20)17-12(2)13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3,(H,17,20)/t12-,14-/m1/s1.
What are the key properties of ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate?
ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 168891072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).