3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid

C16H23NO3 — CID 65059340

IUPAC3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid
SMILESCCOc1ccccc1C(C)N(CCC(=O)O)C1CC1
InChIInChI=1S/C16H23NO3/c1-3-20-15-7-5-4-6-14(15)12(2)17(13-8-9-13)11-10-16(18)19/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyFWUNBCROGNRPBI-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.09
Rot. Bonds8

About 3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid

3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid (PubChem CID 65059340) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid
PubChem CID65059340
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid
SMILESCCOc1ccccc1C(C)N(CCC(=O)O)C1CC1
InChIInChI=1S/C16H23NO3/c1-3-20-15-7-5-4-6-14(15)12(2)17(13-8-9-13)11-10-16(18)19/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyFWUNBCROGNRPBI-UHFFFAOYSA-N
XLogP3.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
CID 82328438
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3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61181189
3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid
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3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid
CID 65057113
N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine
CID 43270179
3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 60988957
3-[cyclopropyl-[1-[4-(2-methylpropyl)phenyl]ethyl]amino]propanoic acid
CID 65055124
3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115445
2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid
CID 65057476
2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid
CID 63703534
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid (CID 65059340) is 3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid is CCOc1ccccc1C(C)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid?
The InChIKey is FWUNBCROGNRPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-20-15-7-5-4-6-14(15)12(2)17(13-8-9-13)11-10-16(18)19/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid?
3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid has a molecular weight of 277.36 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid is sourced from PubChem (CID 65059340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).