1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C14H24N2O4 — CID 83029338

IUPAC1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C)CC(NC(=O)N2CCC(C)(C(=O)O)C2)CCO1
InChIInChI=1S/C14H24N2O4/c1-13(2)8-10(4-7-20-13)15-12(19)16-6-5-14(3,9-16)11(17)18/h10H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyJAAJMEPESAMLAO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds2

About 1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 83029338) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID83029338
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C)CC(NC(=O)N2CCC(C)(C(=O)O)C2)CCO1
InChIInChI=1S/C14H24N2O4/c1-13(2)8-10(4-7-20-13)15-12(19)16-6-5-14(3,9-16)11(17)18/h10H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyJAAJMEPESAMLAO-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003
1-[(4-methoxycyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122017394
1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 114549111
1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123468
2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 83034767
3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63135568
3-methyl-1-(5-oxaspiro[3.5]nonan-8-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122016332
1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122015648
1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149031
3-methyl-1-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122002497
3-methyl-1-[(2-phenyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004919
1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 113475807

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 83029338) is 1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C)CC(NC(=O)N2CCC(C)(C(=O)O)C2)CCO1.
What is the InChIKey of 1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is JAAJMEPESAMLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2)8-10(4-7-20-13)15-12(19)16-6-5-14(3,9-16)11(17)18/h10H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83029338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).