1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid

C14H17NO4 — CID 112557940

IUPAC1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid
SMILESCOCCC(=O)Nc1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C14H17NO4/c1-19-9-6-12(16)15-11-4-2-10(3-5-11)14(7-8-14)13(17)18/h2-5H,6-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyAAUBQFYVBYIJBR-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.78
Rot. Bonds6

About 1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid

1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 112557940) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid
PubChem CID112557940
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid
SMILESCOCCC(=O)Nc1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C14H17NO4/c1-19-9-6-12(16)15-11-4-2-10(3-5-11)14(7-8-14)13(17)18/h2-5H,6-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyAAUBQFYVBYIJBR-UHFFFAOYSA-N
XLogP1.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557929
1-[4-(4-ethoxybutanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912886
1-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]cyclopropane-1-carboxylic acid
CID 115913942
1-[4-[(2-methylsulfonylacetyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 115912899
1-[4-(ethoxycarbonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557944
1-[4-(3,3,3-trifluoropropanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912909
1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 115913919
1-[4-(3-methoxypropylsulfonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912994
1-[4-(methoxycarbonylamino)phenyl]cyclobutane-1-carboxylic acid
CID 117375603
1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557953
1-[4-(2-methylbutanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557931
1-(4-acetamidophenyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821434

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid (CID 112557940) is 1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid is COCCC(=O)Nc1ccc(C2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is AAUBQFYVBYIJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-9-6-12(16)15-11-4-2-10(3-5-11)14(7-8-14)13(17)18/h2-5H,6-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxypropanoylamino)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 112557940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).