2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid

C14H17FN2O5 — CID 135337735

IUPAC2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid
SMILESCOc1cc(O)c(F)cc1CNC(=O)C1CCCN1C(=O)O
InChIInChI=1S/C14H17FN2O5/c1-22-12-6-11(18)9(15)5-8(12)7-16-13(19)10-3-2-4-17(10)14(20)21/h5-6,10,18H,2-4,7H2,1H3,(H,16,19)(H,20,21)
InChIKeyVMOGNTAMXWLIAC-UHFFFAOYSA-N
MW312.30 g/mol
LogP1.30
Rot. Bonds4

About 2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid

2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 135337735) has the molecular formula C14H17FN2O5 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID135337735
Molecular FormulaC14H17FN2O5
Molecular Weight312.30 g/mol
Exact Mass312.11
IUPAC Name2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid
SMILESCOc1cc(O)c(F)cc1CNC(=O)C1CCCN1C(=O)O
InChIInChI=1S/C14H17FN2O5/c1-22-12-6-11(18)9(15)5-8(12)7-16-13(19)10-3-2-4-17(10)14(20)21/h5-6,10,18H,2-4,7H2,1H3,(H,16,19)(H,20,21)
InChIKeyVMOGNTAMXWLIAC-UHFFFAOYSA-N
XLogP1.30
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 126721588
(2S)-2-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 74250640
(2S)-N-[[4-(3,3-difluorocyclobutyl)oxy-5-fluoro-2-methoxyphenyl]methyl]-1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 146315256
methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110754462
2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 647975
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468858
1-(2-fluorophenyl)sulfonyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 24642299
2-[2-[(2,6-difluorophenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 67810813
1-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 47162787
1-(2-phenylacetyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 47720144
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433453
tert-butyl (2S)-2-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 126721614

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid (CID 135337735) is 2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid is COc1cc(O)c(F)cc1CNC(=O)C1CCCN1C(=O)O.
What is the InChIKey of 2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is VMOGNTAMXWLIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O5/c1-22-12-6-11(18)9(15)5-8(12)7-16-13(19)10-3-2-4-17(10)14(20)21/h5-6,10,18H,2-4,7H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid?
2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 312.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 135337735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).