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

C14H16ClNO4 — CID 115449352

IUPAC1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H16ClNO4/c1-9(20-11-4-2-10(15)3-5-11)12(17)16-8-14(6-7-14)13(18)19/h2-5,9H,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyFPURWIHFYQOICS-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.09
Rot. Bonds6

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

1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449352) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449352
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H16ClNO4/c1-9(20-11-4-2-10(15)3-5-11)12(17)16-8-14(6-7-14)13(18)19/h2-5,9H,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyFPURWIHFYQOICS-UHFFFAOYSA-N
XLogP2.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449554
2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717682
1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449643
1-[[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449634
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771
(2S)-4-[2-(4-chlorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107834513
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
CID 108541480
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435
6-[2-(4-chlorophenoxy)propanoylamino]hexanoic acid
CID 43238400
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid (CID 115449352) is 1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid is CC(Oc1ccc(Cl)cc1)C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is FPURWIHFYQOICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-9(20-11-4-2-10(15)3-5-11)12(17)16-8-14(6-7-14)13(18)19/h2-5,9H,6-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).