3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C11H19NO4 — CID 64834806

IUPAC3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOCCCNC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C11H19NO4/c1-11(2)7(8(11)10(14)15)9(13)12-5-4-6-16-3/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyMZYDRIFSCUNQIJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.50
Rot. Bonds6

About 3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64834806) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64834806
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOCCCNC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C11H19NO4/c1-11(2)7(8(11)10(14)15)9(13)12-5-4-6-16-3/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyMZYDRIFSCUNQIJ-UHFFFAOYSA-N
XLogP0.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-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

3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836170
3-(hex-5-ynylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 106208698
cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 94180392
cis-(1R,3S)-2,2-dimethyl-3-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114093097
3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836137
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
2,2-dimethyl-3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106334718
3-methoxypropylurea
CID 2064040
3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114174958
2,2-dimethyl-3-[2-(4-methylcyclohexyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64836970
2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974582
2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835556

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64834806) is 3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is COCCCNC(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is MZYDRIFSCUNQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2)7(8(11)10(14)15)9(13)12-5-4-6-16-3/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64834806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).