1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid

C15H16N2O4 — CID 115449643

IUPAC1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C15H16N2O4/c1-10(21-12-4-2-11(8-16)3-5-12)13(18)17-9-15(6-7-15)14(19)20/h2-5,10H,6-7,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyMFYJEXMTUAUXNI-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.31
Rot. Bonds6

About 1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid

1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449643) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449643
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C15H16N2O4/c1-10(21-12-4-2-11(8-16)3-5-12)13(18)17-9-15(6-7-15)14(19)20/h2-5,10H,6-7,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyMFYJEXMTUAUXNI-UHFFFAOYSA-N
XLogP1.31
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80716354
1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449554
1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449352
(2S)-3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833675
3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167287
4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832580
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315312
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
2-(4-cyanophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51157171
2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 47034520
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid (CID 115449643) is 1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid is CC(Oc1ccc(C#N)cc1)C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is MFYJEXMTUAUXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10(21-12-4-2-11(8-16)3-5-12)13(18)17-9-15(6-7-15)14(19)20/h2-5,10H,6-7,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).