2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid

C13H21NO4 — CID 64835049

IUPAC2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NCC1CCCCO1
InChIInChI=1S/C13H21NO4/c1-13(2)9(10(13)12(16)17)11(15)14-7-8-5-3-4-6-18-8/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYQNZANSGXXPXFU-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.03
Rot. Bonds4

About 2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid

2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 64835049) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID64835049
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NCC1CCCCO1
InChIInChI=1S/C13H21NO4/c1-13(2)9(10(13)12(16)17)11(15)14-7-8-5-3-4-6-18-8/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYQNZANSGXXPXFU-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-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

2,2-dimethyl-3-[2-(oxolan-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64835996
2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3119934
N-(oxan-2-ylmethyl)but-2-ynamide
CID 126988719
4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62783252
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-amino-2-methyl-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119300308
2,2-dimethyl-3-(oxan-2-ylmethylamino)-3-oxopropanoic acid
CID 82820907
(2S,5R)-5-(aminomethyl)-N-(oxan-2-ylmethyl)oxolane-2-carboxamide
CID 120789270
1-(oxan-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162688
2-amino-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 114995836
(1S,2R,3R,4S)-3-[[(2S)-oxolan-2-yl]methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124716251
6-methyl-N-(oxan-2-ylmethyl)piperidine-2-carboxamide
CID 55013596

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 64835049) is 2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)NCC1CCCCO1.
What is the InChIKey of 2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is YQNZANSGXXPXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-13(2)9(10(13)12(16)17)11(15)14-7-8-5-3-4-6-18-8/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 64835049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).