1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid

C13H16N2O3 — CID 112557953

IUPAC1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
SMILESCCNC(=O)Nc1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C13H16N2O3/c1-2-14-12(18)15-10-5-3-9(4-6-10)13(7-8-13)11(16)17/h3-6H,2,7-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyVMNNMRYKJIEOFR-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.94
Rot. Bonds4

About 1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid

1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 112557953) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
PubChem CID112557953
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
SMILESCCNC(=O)Nc1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C13H16N2O3/c1-2-14-12(18)15-10-5-3-9(4-6-10)13(7-8-13)11(16)17/h3-6H,2,7-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyVMNNMRYKJIEOFR-UHFFFAOYSA-N
XLogP1.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-methylsulfanylpropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115914169
1-[4-(dimethylaminocarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112558536
1-[4-(ethoxycarbonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557944
1-[4-(2-methylbutanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557931
1-[4-(pent-4-ynylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 106222794
1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557929
1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557949
1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 115913919
1-[4-[[(Z)-2-methylpent-2-enoyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 115912949
N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
CID 53110621
1-[4-(2,3-dimethylbutanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912872
1-[4-[(2-methylsulfonylacetyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 115912899

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid (CID 112557953) is 1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid is CCNC(=O)Nc1ccc(C2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is VMNNMRYKJIEOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-14-12(18)15-10-5-3-9(4-6-10)13(7-8-13)11(16)17/h3-6H,2,7-8H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 112557953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).