3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid

C17H25NO3 — CID 125471913

IUPAC3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid
SMILESCOc1cccc(CCN[C@@H]2CCC[C@H]2CCC(=O)O)c1
InChIInChI=1S/C17H25NO3/c1-21-15-6-2-4-13(12-15)10-11-18-16-7-3-5-14(16)8-9-17(19)20/h2,4,6,12,14,16,18H,3,5,7-11H2,1H3,(H,19,20)/t14-,16+/m0/s1
InChIKeyHIZYFFZZHLBKRE-GOEBONIOSA-N
MW291.39 g/mol
LogP2.86
Rot. Bonds8

About 3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid

3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid (PubChem CID 125471913) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid.

Molecular Properties

Compound Name3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid
PubChem CID125471913
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid
SMILESCOc1cccc(CCN[C@@H]2CCC[C@H]2CCC(=O)O)c1
InChIInChI=1S/C17H25NO3/c1-21-15-6-2-4-13(12-15)10-11-18-16-7-3-5-14(16)8-9-17(19)20/h2,4,6,12,14,16,18H,3,5,7-11H2,1H3,(H,19,20)/t14-,16+/m0/s1
InChIKeyHIZYFFZZHLBKRE-GOEBONIOSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid?
The IUPAC name of 3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid (CID 125471913) is 3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid.
What is the SMILES notation for 3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid?
The canonical SMILES for 3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid is COc1cccc(CCN[C@@H]2CCC[C@H]2CCC(=O)O)c1.
What is the InChIKey of 3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid?
The InChIKey is HIZYFFZZHLBKRE-GOEBONIOSA-N. The full InChI is InChI=1S/C17H25NO3/c1-21-15-6-2-4-13(12-15)10-11-18-16-7-3-5-14(16)8-9-17(19)20/h2,4,6,12,14,16,18H,3,5,7-11H2,1H3,(H,19,20)/t14-,16+/m0/s1.
What are the key properties of 3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid?
3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid has a molecular weight of 291.39 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid is sourced from PubChem (CID 125471913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).