4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid

C13H22N2O4 — CID 63279461

IUPAC4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NC2CCCC2C)C1
InChIInChI=1S/C13H22N2O4/c1-8-4-3-5-10(8)14-13(18)15-7-9(19-2)6-11(15)12(16)17/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyVCJSPCMZJVSSBH-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.06
Rot. Bonds3

About 4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid

4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 63279461) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID63279461
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NC2CCCC2C)C1
InChIInChI=1S/C13H22N2O4/c1-8-4-3-5-10(8)14-13(18)15-7-9(19-2)6-11(15)12(16)17/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyVCJSPCMZJVSSBH-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-hydroxycyclohexyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 62359093
4-methoxy-1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 80721075
(2R,4R)-4-hydroxy-1-[(2-methylcycloheptyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79013678
1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61197043
(2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000169
4-methoxy-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197469
(2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78999621
4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83019976
2-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744292
4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192351
1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534374
(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63844255

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 63279461) is 4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)NC2CCCC2C)C1.
What is the InChIKey of 4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VCJSPCMZJVSSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8-4-3-5-10(8)14-13(18)15-7-9(19-2)6-11(15)12(16)17/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid?
4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(2-methylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63279461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).