2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid

C9H15NO4 — CID 82706464

IUPAC2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(C)CONC(=O)C1CC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-5(2)4-14-10-8(11)6-3-7(6)9(12)13/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeySVXABPLXWDMDFL-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.41
Rot. Bonds5

About 2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid

2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 82706464) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID82706464
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(C)CONC(=O)C1CC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-5(2)4-14-10-8(11)6-3-7(6)9(12)13/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeySVXABPLXWDMDFL-UHFFFAOYSA-N
XLogP0.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.41
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

6-(2-methylpropoxycarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 82707131
2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60790622
N-(2-methylpropoxy)cyclopropanecarboxamide
CID 115410090
4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide
CID 115409857
5-methyl-N-(2-methylpropoxy)oxolane-3-carboxamide
CID 114826134
2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 83176642
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61463679
tetrakis(2-methylpropyl) cyclohexane-1,2,4,5-tetracarboxylate
CID 23444116
2-(heptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60791589
2,4,5-tris(9-methyldecoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66984685
2,4,5-tris(10-methylundecoxycarbonyl)cyclohexane-1-carboxylic acid
CID 23444148

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid (CID 82706464) is 2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid is CC(C)CONC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is SVXABPLXWDMDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-5(2)4-14-10-8(11)6-3-7(6)9(12)13/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid?
2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxycarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82706464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).