methyl 4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate

C13H16N2O4 — CID 3323238

IUPACmethyl 4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C13H16N2O4/c1-19-12(17)11-7-10(16)8-15(11)13(18)14-9-5-3-2-4-6-9/h2-6,10-11,16H,7-8H2,1H3,(H,14,18)
InChIKeyYMHLGFTZWUVELT-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.83
Rot. Bonds2

About methyl 4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate (PubChem CID 3323238) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate
PubChem CID3323238
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C13H16N2O4/c1-19-12(17)11-7-10(16)8-15(11)13(18)14-9-5-3-2-4-6-9/h2-6,10-11,16H,7-8H2,1H3,(H,14,18)
InChIKeyYMHLGFTZWUVELT-UHFFFAOYSA-N
XLogP0.83
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Phenylcarbamoyl)proline
CID 2946785
4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 2-cyclopentylamide 1-phenylamide
CID 3231144
1-[(4-Fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 651715
(S)-1-(o-tolylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510125
4-Hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid
CID 2872333
Methyl 4-hydroxy-1-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrrolidinecarboxylate
CID 2783038
(2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 671077
Proline, 1-[(acetylphenylamino)methyl]-5-oxo-
CID 389172
methyl 1-[(N-acetylanilino)methyl]-5-oxo-pyrrolidine-2-carboxylate
CID 389180
1-[(2-Fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 16773223
1-{[(3-Methylphenyl)amino]carbonyl}proline
CID 16769622
Methyl 1-phenylcarbamoyl-2-pyrolidone-5-carboxylate
CID 10753928

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate (CID 3323238) is methyl 4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)Nc1ccccc1.
What is the InChIKey of methyl 4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate?
The InChIKey is YMHLGFTZWUVELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-12(17)11-7-10(16)8-15(11)13(18)14-9-5-3-2-4-6-9/h2-6,10-11,16H,7-8H2,1H3,(H,14,18).
What are the key properties of methyl 4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 3323238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).