2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid

C14H23NO5 — CID 60949936

IUPAC2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCC(CC)CN(CC(=O)OC)C(=O)C1CC1C(=O)O
InChIInChI=1S/C14H23NO5/c1-4-9(5-2)7-15(8-12(16)20-3)13(17)10-6-11(10)14(18)19/h9-11H,4-8H2,1-3H3,(H,18,19)
InChIKeyIQMPYNYMBLYTIU-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.14
Rot. Bonds8

About 2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60949936) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60949936
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCC(CC)CN(CC(=O)OC)C(=O)C1CC1C(=O)O
InChIInChI=1S/C14H23NO5/c1-4-9(5-2)7-15(8-12(16)20-3)13(17)10-6-11(10)14(18)19/h9-11H,4-8H2,1-3H3,(H,18,19)
InChIKeyIQMPYNYMBLYTIU-UHFFFAOYSA-N
XLogP1.14
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93378256
methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate
CID 106739382
cis-(1S,2R)-2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378828
methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate
CID 82909407
methyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate
CID 81129207
cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344004
3-[ethyl(2-ethylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784340
methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate
CID 78971313
methyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate
CID 102655892
methyl 2-[2-ethylbutyl(propyl)amino]acetate
CID 78978764
3-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043366
2-[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390721

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60949936) is 2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid is CCC(CC)CN(CC(=O)OC)C(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is IQMPYNYMBLYTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-4-9(5-2)7-15(8-12(16)20-3)13(17)10-6-11(10)14(18)19/h9-11H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethylbutyl-(2-methoxy-2-oxoethyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60949936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).