4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid

C16H28N2O3 — CID 114390973

IUPAC4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCC(C)CN2CCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-11-7-13(14(8-11)16(20)21)15(19)17-9-12(2)10-18-5-3-4-6-18/h11-14H,3-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyODTDLMHIWDRSLI-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.58
Rot. Bonds6

About 4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid

4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114390973) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114390973
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCC(C)CN2CCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-11-7-13(14(8-11)16(20)21)15(19)17-9-12(2)10-18-5-3-4-6-18/h11-14H,3-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyODTDLMHIWDRSLI-UHFFFAOYSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 65456059
cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114092436
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390540
4-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992457
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 63005234
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
3-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992278
3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 102778898
N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 54906567
(2S)-N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 61165570
(2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63843742

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114390973) is 4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)NCC(C)CN2CCCC2)C1.
What is the InChIKey of 4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ODTDLMHIWDRSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11-7-13(14(8-11)16(20)21)15(19)17-9-12(2)10-18-5-3-4-6-18/h11-14H,3-10H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).