1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid

C12H19NO4 — CID 62088973

IUPAC1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCOC1CCCC1NC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C12H19NO4/c1-17-9-5-2-4-8(9)13-10(14)12(11(15)16)6-3-7-12/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyPOKTVSKFQKCKRH-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.93
Rot. Bonds4

About 1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid

1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62088973) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62088973
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCOC1CCCC1NC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C12H19NO4/c1-17-9-5-2-4-8(9)13-10(14)12(11(15)16)6-3-7-12/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyPOKTVSKFQKCKRH-UHFFFAOYSA-N
XLogP0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 62088973) is 1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid is COC1CCCC1NC(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is POKTVSKFQKCKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-17-9-5-2-4-8(9)13-10(14)12(11(15)16)6-3-7-12/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62088973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).