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

C12H22N2O4 — CID 64817719

IUPAC2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(COC)NC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-8(7-18-2)13-12(17)14-10-6-4-5-9(10)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyZIMZRUFQHFSBTL-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.96
Rot. Bonds6

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

2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 64817719) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID64817719
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(COC)NC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-8(7-18-2)13-12(17)14-10-6-4-5-9(10)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyZIMZRUFQHFSBTL-UHFFFAOYSA-N
XLogP0.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.96
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)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 64817719) is 2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid is CCC(COC)NC(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ZIMZRUFQHFSBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-8(7-18-2)13-12(17)14-10-6-4-5-9(10)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.96, 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)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).