4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

C14H24N2O3 — CID 114511677

IUPAC4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC2CCN(C)C2)C1
InChIInChI=1S/C14H24N2O3/c1-3-9-6-11(12(7-9)14(18)19)13(17)15-10-4-5-16(2)8-10/h9-12H,3-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNYGRFPDNXWSVHI-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.94
Rot. Bonds4

About 4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114511677) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114511677
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC2CCN(C)C2)C1
InChIInChI=1S/C14H24N2O3/c1-3-9-6-11(12(7-9)14(18)19)13(17)15-10-4-5-16(2)8-10/h9-12H,3-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNYGRFPDNXWSVHI-UHFFFAOYSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 131019581
2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792023
2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511889
2-methyl-N-(1-methylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 79388554
N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
3-amino-N-(1-methylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 66007963
2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54962940
3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783132
N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide
CID 167206837
ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543
4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 115150628
4-ethyl-2-[(4-methylcyclohexyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511796

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114511677) is 4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NC2CCN(C)C2)C1.
What is the InChIKey of 4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is NYGRFPDNXWSVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-9-6-11(12(7-9)14(18)19)13(17)15-10-4-5-16(2)8-10/h9-12H,3-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).