1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C19H24F2N2O3 — CID 122011756

IUPAC1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCC2(c3cccc(F)c3F)CCCC2)C1
InChIInChI=1S/C19H24F2N2O3/c1-18(16(24)25)9-10-23(12-18)17(26)22-11-19(7-2-3-8-19)13-5-4-6-14(20)15(13)21/h4-6H,2-3,7-12H2,1H3,(H,22,26)(H,24,25)
InChIKeyPKKQXXWHQFADIN-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.28
Rot. Bonds4

About 1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122011756) has the molecular formula C19H24F2N2O3 and a molecular weight of 366.41 g/mol. Its IUPAC name is 1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122011756
Molecular FormulaC19H24F2N2O3
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Name1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCC2(c3cccc(F)c3F)CCCC2)C1
InChIInChI=1S/C19H24F2N2O3/c1-18(16(24)25)9-10-23(12-18)17(26)22-11-19(7-2-3-8-19)13-5-4-6-14(20)15(13)21/h4-6H,2-3,7-12H2,1H3,(H,22,26)(H,24,25)
InChIKeyPKKQXXWHQFADIN-UHFFFAOYSA-N
XLogP3.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63829455
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide
CID 86792113
1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135920
3-methyl-1-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015395
1-[(4-chloro-2-fluorophenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122010820
1-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122011844
1-[(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122009406
1-(2-bromo-6-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 115910022
1-[(4-carboxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122019901
1-[(4-ethylphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 106900484
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736
N-[[1-(2,3-difluorophenyl)cyclopentyl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 139009869

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122011756) is 1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCC2(c3cccc(F)c3F)CCCC2)C1.
What is the InChIKey of 1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is PKKQXXWHQFADIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O3/c1-18(16(24)25)9-10-23(12-18)17(26)22-11-19(7-2-3-8-19)13-5-4-6-14(20)15(13)21/h4-6H,2-3,7-12H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 366.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,3-difluorophenyl)cyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122011756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).