1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid

C11H19NO4 — CID 62985662

IUPAC1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCOCCCN(C)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C11H19NO4/c1-12(7-4-8-16-2)9(13)11(10(14)15)5-3-6-11/h3-8H2,1-2H3,(H,14,15)
InChIKeyOVKJIVLQVFCVBM-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.74
Rot. Bonds6

About 1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid

1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62985662) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62985662
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCOCCCN(C)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C11H19NO4/c1-12(7-4-8-16-2)9(13)11(10(14)15)5-3-6-11/h3-8H2,1-2H3,(H,14,15)
InChIKeyOVKJIVLQVFCVBM-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096795
1-amino-N-(3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
CID 63008768
1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 80592807
4-(N'-hydroxycarbamimidoyl)-N-(3-methoxypropyl)-N-methyloxane-4-carboxamide
CID 76979866
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 63286611
N-(3-methoxypropyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 63142401
1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 63859022
1-[[3-methoxypropyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 63008835
1-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 115183835
1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62095246
1-(3-methoxypropoxy)cyclopentane-1-carboxylic acid
CID 114987778
1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097334

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 62985662) is 1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid is COCCCN(C)C(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is OVKJIVLQVFCVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-12(7-4-8-16-2)9(13)11(10(14)15)5-3-6-11/h3-8H2,1-2H3,(H,14,15).
What are the key properties of 1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62985662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).