2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

C13H23NO4 — CID 114391355

IUPAC2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCOCC(C)(C)NC(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C13H23NO4/c1-8-5-9(10(6-8)12(16)17)11(15)14-13(2,3)7-18-4/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyBPBXBAXHBFPCNE-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.27
Rot. Bonds5

About 2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114391355) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114391355
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCOCC(C)(C)NC(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C13H23NO4/c1-8-5-9(10(6-8)12(16)17)11(15)14-13(2,3)7-18-4/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyBPBXBAXHBFPCNE-UHFFFAOYSA-N
XLogP1.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114391355) is 2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is COCC(C)(C)NC(=O)C1CC(C)CC1C(=O)O.
What is the InChIKey of 2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is BPBXBAXHBFPCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-8-5-9(10(6-8)12(16)17)11(15)14-13(2,3)7-18-4/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).