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

C12H19NO4 — CID 83229822

IUPAC3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NOC1CCCC1
InChIInChI=1S/C12H19NO4/c1-12(2)8(9(12)11(15)16)10(14)13-17-7-5-3-4-6-7/h7-9H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHVKOMWHFKOCZHH-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.33
Rot. Bonds4

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

3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 83229822) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID83229822
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NOC1CCCC1
InChIInChI=1S/C12H19NO4/c1-12(2)8(9(12)11(15)16)10(14)13-17-7-5-3-4-6-7/h7-9H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHVKOMWHFKOCZHH-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyl-3-(2,2,2-trifluoroethoxycarbamoyl)cyclopropane-1-carboxylic acid
CID 82706182
cis-(1R,3S)-2,2-dimethyl-3-(2,2,2-trifluoroethoxycarbamoyl)cyclopropane-1-carboxylic acid
CID 105640649
3-(Ethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64973987
3-(Methoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64974131
2,2-Dimethyl-3-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid
CID 82706368
2-(2-Methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid
CID 82706464
3-(2-Methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 82707517
2,2-Dimethyl-3-[(2-methylpropan-2-yl)oxycarbamoyl]cyclopropane-1-carboxylic acid
CID 82719746
2-(Cyclopentyloxycarbamoyl)cyclopropane-1-carboxylic acid
CID 83228700
5-(Cyclopentyloxyamino)-3,3-dimethyl-5-oxopentanoic acid
CID 83228798
4-(Cyclopentyloxyamino)-2,2-diethyl-4-oxobutanoic acid
CID 83229622
5-(Cyclopentyloxyamino)-3-methyl-5-oxopentanoic acid
CID 83229723

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 83229822) is 3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)NOC1CCCC1.
What is the InChIKey of 3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is HVKOMWHFKOCZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(2)8(9(12)11(15)16)10(14)13-17-7-5-3-4-6-7/h7-9H,3-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 83229822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).