3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

C14H24N2O4 — CID 122014064

IUPAC3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1COCCC1CNC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-10-8-20-6-3-11(10)7-15-13(19)16-5-4-14(2,9-16)12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyLVEQJHWQMNCVCF-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.17
Rot. Bonds3

About 3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122014064) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122014064
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1COCCC1CNC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-10-8-20-6-3-11(10)7-15-13(19)16-5-4-14(2,9-16)12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyLVEQJHWQMNCVCF-UHFFFAOYSA-N
XLogP1.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122014061
3-methyl-1-[[2-methyl-2-(oxan-4-yl)propyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 167969968
3-methyl-1-(5-oxaspiro[3.5]nonan-8-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122016332
1-(1,4-dioxaspiro[4.4]nonan-3-ylmethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122008900
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145708
3-methyl-1-[1-(oxan-4-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004734
3-methyl-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114516429
3-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82743066
3-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63829455
3-ethyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147259
3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145628
3-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63135667

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 122014064) is 3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is CC1COCCC1CNC(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is LVEQJHWQMNCVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10-8-20-6-3-11(10)7-15-13(19)16-5-4-14(2,9-16)12(17)18/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122014064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).