2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid

C14H23NO4 — CID 64837348

IUPAC2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(CC1CCCOC1)C(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C14H23NO4/c1-14(2)10(11(14)13(17)18)12(16)15(3)7-9-5-4-6-19-8-9/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyOCCMGPIYFBUHLX-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.23
Rot. Bonds4

About 2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid

2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 64837348) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID64837348
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(CC1CCCOC1)C(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C14H23NO4/c1-14(2)10(11(14)13(17)18)12(16)15(3)7-9-5-4-6-19-8-9/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyOCCMGPIYFBUHLX-UHFFFAOYSA-N
XLogP1.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-2,2-dimethyl-3-[methyl(oxan-4-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092348
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63706765
3-amino-N,3-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 64677670
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 63713295
N-methyl-N-(oxan-3-ylmethyl)piperidine-3-carboxamide
CID 55227214
cis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066588
ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
CID 63717734
2-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 79811911
1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764929

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 64837348) is 2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid is CN(CC1CCCOC1)C(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is OCCMGPIYFBUHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(2)10(11(14)13(17)18)12(16)15(3)7-9-5-4-6-19-8-9/h9-11H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 64837348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).