1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid

C14H19NO3 — CID 116943091

IUPAC1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCCc1cc(C(N)C2(C(=O)O)CC2)ccc1OC
InChIInChI=1S/C14H19NO3/c1-3-9-8-10(4-5-11(9)18-2)12(15)14(6-7-14)13(16)17/h4-5,8,12H,3,6-7,15H2,1-2H3,(H,16,17)
InChIKeySDFSMTOVBHGYGZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.12
Rot. Bonds5

About 1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid

1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116943091) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID116943091
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCCc1cc(C(N)C2(C(=O)O)CC2)ccc1OC
InChIInChI=1S/C14H19NO3/c1-3-9-8-10(4-5-11(9)18-2)12(15)14(6-7-14)13(16)17/h4-5,8,12H,3,6-7,15H2,1-2H3,(H,16,17)
InChIKeySDFSMTOVBHGYGZ-UHFFFAOYSA-N
XLogP2.12
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943063
methyl 1-[[3-(aminomethyl)-4-methoxyphenyl]-hydroxymethyl]cyclopropane-1-carboxylate
CID 59712443
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
2-amino-2-(3-ethyl-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 116851315
2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid
CID 82473167
methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116856998
methyl 4-amino-4-(3-ethyl-4-methoxyphenyl)butanoate
CID 116940192
1-(3-ethyl-4-methoxyphenyl)butane-1,3-diamine
CID 116933248
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
2-cyano-2-(3-ethyl-4-methoxyphenyl)acetic acid
CID 82114135
1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958147
1-[(3-fluoro-4-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958135

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid (CID 116943091) is 1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid is CCc1cc(C(N)C2(C(=O)O)CC2)ccc1OC.
What is the InChIKey of 1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is SDFSMTOVBHGYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-9-8-10(4-5-11(9)18-2)12(15)14(6-7-14)13(16)17/h4-5,8,12H,3,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of 1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid?
1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116943091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).