5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

C19H27N3O4 — CID 124757384

IUPAC5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c(C(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c(C)c1C(=O)O
InChIInChI=1S/C19H27N3O4/c1-11-16(19(25)26)12(2)20-17(11)18(24)21(3)9-13-8-15(23)22(10-13)14-6-4-5-7-14/h13-14,20H,4-10H2,1-3H3,(H,25,26)/t13-/m0/s1
InChIKeyWHJCMVPZIFHBDG-ZDUSSCGKSA-N
MW361.44 g/mol
LogP2.19
Rot. Bonds5

About 5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (PubChem CID 124757384) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
PubChem CID124757384
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c(C(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c(C)c1C(=O)O
InChIInChI=1S/C19H27N3O4/c1-11-16(19(25)26)12(2)20-17(11)18(24)21(3)9-13-8-15(23)22(10-13)14-6-4-5-7-14/h13-14,20H,4-10H2,1-3H3,(H,25,26)/t13-/m0/s1
InChIKeyWHJCMVPZIFHBDG-ZDUSSCGKSA-N
XLogP2.19
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 77097540
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N,2,6-trimethylpyrimidine-4-carboxamide
CID 50960371
2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide
CID 131947635
1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 163314892
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-(difluoromethoxy)-N-methylbenzamide
CID 131910552
1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one
CID 50985024
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-methyl-3-(3,4,5-trifluorophenyl)urea
CID 72925137
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea
CID 131949003
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
CID 125167246
(4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
CID 95122565
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea
CID 125170612
(4R)-1-cyclopentyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 26722502

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (CID 124757384) is 5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]c(C(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c(C)c1C(=O)O.
What is the InChIKey of 5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is WHJCMVPZIFHBDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-11-16(19(25)26)12(2)20-17(11)18(24)21(3)9-13-8-15(23)22(10-13)14-6-4-5-7-14/h13-14,20H,4-10H2,1-3H3,(H,25,26)/t13-/m0/s1.
What are the key properties of 5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid?
5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 361.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 124757384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).