1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid

C12H19NO3 — CID 63859022

IUPAC1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCC1CC1CN(C)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C12H19NO3/c1-8-6-9(8)7-13(2)10(14)12(11(15)16)4-3-5-12/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyGPXMFUIMWQFWPO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.36
Rot. Bonds4

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

1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 63859022) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID63859022
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCC1CC1CN(C)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C12H19NO3/c1-8-6-9(8)7-13(2)10(14)12(11(15)16)4-3-5-12/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyGPXMFUIMWQFWPO-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 63859022) is 1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid is CC1CC1CN(C)C(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is GPXMFUIMWQFWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-6-9(8)7-13(2)10(14)12(11(15)16)4-3-5-12/h8-9H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid?
1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 63859022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).