2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid

C13H24N2O4 — CID 82764156

IUPAC2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCCC(COC)NC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-9(8-19-3)14-12(18)15-10-6-5-7-13(10,2)11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeySOVBYBBLEOANRS-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.35
Rot. Bonds6

About 2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid

2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82764156) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
PubChem CID82764156
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCCC(COC)NC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-9(8-19-3)14-12(18)15-10-6-5-7-13(10,2)11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeySOVBYBBLEOANRS-UHFFFAOYSA-N
XLogP1.35
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid (CID 82764156) is 2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid is CCC(COC)NC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is SOVBYBBLEOANRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-9(8-19-3)14-12(18)15-10-6-5-7-13(10,2)11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82764156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).