2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid

C14H17FN2O4 — CID 114840396

IUPAC2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCOc1cc(NC(=O)N2CCCC2CC(=O)O)ccc1F
InChIInChI=1S/C14H17FN2O4/c1-21-12-7-9(4-5-11(12)15)16-14(20)17-6-2-3-10(17)8-13(18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyUOJQFEULWDPVNR-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.31
Rot. Bonds4

About 2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 114840396) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID114840396
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCOc1cc(NC(=O)N2CCCC2CC(=O)O)ccc1F
InChIInChI=1S/C14H17FN2O4/c1-21-12-7-9(4-5-11(12)15)16-14(20)17-6-2-3-10(17)8-13(18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyUOJQFEULWDPVNR-UHFFFAOYSA-N
XLogP2.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104979945
2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61194799
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097
N-(4-fluoro-3-methoxyphenyl)azepane-1-carboxamide
CID 114839187
2-[1-[(4-propylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371172
2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61369992
2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 62871728
2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61182627
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61010111
2-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61181332
2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61189756
2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61372432

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid (CID 114840396) is 2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid is COc1cc(NC(=O)N2CCCC2CC(=O)O)ccc1F.
What is the InChIKey of 2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is UOJQFEULWDPVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-21-12-7-9(4-5-11(12)15)16-14(20)17-6-2-3-10(17)8-13(18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 296.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 114840396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).