4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C14H17NO5 — CID 77261009

IUPAC4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CC(O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO5/c1-14(12(17)18)7-11(16)8-15(14)13(19)20-9-10-5-3-2-4-6-10/h2-6,11,16H,7-9H2,1H3,(H,17,18)
InChIKeyFHOUWOVYDRADDP-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.23
Rot. Bonds3

About 4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 77261009) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID77261009
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CC(O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO5/c1-14(12(17)18)7-11(16)8-15(14)13(19)20-9-10-5-3-2-4-6-10/h2-6,11,16H,7-9H2,1H3,(H,17,18)
InChIKeyFHOUWOVYDRADDP-UHFFFAOYSA-N
XLogP1.23
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 77261009) is 4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CC(O)CN1C(=O)OCc1ccccc1.
What is the InChIKey of 4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is FHOUWOVYDRADDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-14(12(17)18)7-11(16)8-15(14)13(19)20-9-10-5-3-2-4-6-10/h2-6,11,16H,7-9H2,1H3,(H,17,18).
What are the key properties of 4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 77261009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).