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

C13H22N2O4 — CID 63858464

IUPAC4-methoxy-1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)N(C)CC2CC2C)C1
InChIInChI=1S/C13H22N2O4/c1-8-4-9(8)6-14(2)13(18)15-7-10(19-3)5-11(15)12(16)17/h8-11H,4-7H2,1-3H3,(H,16,17)
InChIKeyLLZYLMSMRIFRJS-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.87
Rot. Bonds4

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

4-methoxy-1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 63858464) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-methoxy-1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID63858464
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-methoxy-1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)N(C)CC2CC2C)C1
InChIInChI=1S/C13H22N2O4/c1-8-4-9(8)6-14(2)13(18)15-7-10(19-3)5-11(15)12(16)17/h8-11H,4-7H2,1-3H3,(H,16,17)
InChIKeyLLZYLMSMRIFRJS-UHFFFAOYSA-N
XLogP0.87
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 63700451
1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 103190203
4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61439869
4-methoxy-1-[methyl(thiophen-3-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197545
4-methoxy-1-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61201169
1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61443374
1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61159404
ethane;(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 171535084
(2S,4R)-1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 22822683
1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534374
4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192351
1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 24704808

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 63858464) is 4-methoxy-1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)N(C)CC2CC2C)C1.
What is the InChIKey of 4-methoxy-1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LLZYLMSMRIFRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8-4-9(8)6-14(2)13(18)15-7-10(19-3)5-11(15)12(16)17/h8-11H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 4-methoxy-1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid?
4-methoxy-1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63858464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).