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

C15H19NO5 — CID 115449554

IUPAC1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(OC(C)C(=O)NCC2(C(=O)O)CC2)cc1
InChIInChI=1S/C15H19NO5/c1-10(21-12-5-3-11(20-2)4-6-12)13(17)16-9-15(7-8-15)14(18)19/h3-6,10H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRPGPBVMFHCAFTK-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.44
Rot. Bonds7

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

1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449554) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449554
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(OC(C)C(=O)NCC2(C(=O)O)CC2)cc1
InChIInChI=1S/C15H19NO5/c1-10(21-12-5-3-11(20-2)4-6-12)13(17)16-9-15(7-8-15)14(18)19/h3-6,10H,7-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRPGPBVMFHCAFTK-UHFFFAOYSA-N
XLogP1.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449352
1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449643
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915
3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid
CID 93306205
1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81164171
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81368174
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717682
4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid
CID 120541639
1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433087

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid (CID 115449554) is 1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid is COc1ccc(OC(C)C(=O)NCC2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is RPGPBVMFHCAFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10(21-12-5-3-11(20-2)4-6-12)13(17)16-9-15(7-8-15)14(18)19/h3-6,10H,7-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).