2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid

C16H23NO4 — CID 170879775

IUPAC2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
SMILESCCOc1cc(CC(N)C(=O)O)ccc1OC1CCCC1
InChIInChI=1S/C16H23NO4/c1-2-20-15-10-11(9-13(17)16(18)19)7-8-14(15)21-12-5-3-4-6-12/h7-8,10,12-13H,2-6,9,17H2,1H3,(H,18,19)
InChIKeyJZFUETZGSUYSLF-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.36
Rot. Bonds7

About 2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid

2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid (PubChem CID 170879775) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
PubChem CID170879775
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
SMILESCCOc1cc(CC(N)C(=O)O)ccc1OC1CCCC1
InChIInChI=1S/C16H23NO4/c1-2-20-15-10-11(9-13(17)16(18)19)7-8-14(15)21-12-5-3-4-6-12/h7-8,10,12-13H,2-6,9,17H2,1H3,(H,18,19)
InChIKeyJZFUETZGSUYSLF-UHFFFAOYSA-N
XLogP2.36
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid
CID 170879715
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
CID 22022327
2-amino-3-[3-methoxy-4-(oxetan-3-yloxy)phenyl]propanoic acid
CID 117421344
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine
CID 43278205
2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid
CID 117417115
2-amino-3-[4-[5-[(3-cyclopentyloxy-4-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]phenyl]propanoic acid
CID 66649503
1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
CID 61342843
3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid
CID 117425393
2-amino-3-[3-chloro-4-(oxetan-3-yloxy)phenyl]propanoic acid
CID 117431915

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid (CID 170879775) is 2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid is CCOc1cc(CC(N)C(=O)O)ccc1OC1CCCC1.
What is the InChIKey of 2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid?
The InChIKey is JZFUETZGSUYSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-2-20-15-10-11(9-13(17)16(18)19)7-8-14(15)21-12-5-3-4-6-12/h7-8,10,12-13H,2-6,9,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid?
2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 170879775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).