2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid

C17H25NO2 — CID 20598255

IUPAC2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid
SMILESCC(C)[C@H]1C[C@](CN)(CC(=O)O)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H25NO2/c1-12(2)14-8-17(11-18,10-16(19)20)9-15(14)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,18H2,1-2H3,(H,19,20)/t14-,15-,17-/m1/s1
InChIKeyWMCHFEQQJSVAEY-BFYDXBDKSA-N
MW275.39 g/mol
LogP3.26
Rot. Bonds5

About 2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid

2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid (PubChem CID 20598255) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid
PubChem CID20598255
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid
SMILESCC(C)[C@H]1C[C@](CN)(CC(=O)O)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H25NO2/c1-12(2)14-8-17(11-18,10-16(19)20)9-15(14)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,18H2,1-2H3,(H,19,20)/t14-,15-,17-/m1/s1
InChIKeyWMCHFEQQJSVAEY-BFYDXBDKSA-N
XLogP3.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid (CID 20598255) is 2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid is CC(C)[C@H]1C[C@](CN)(CC(=O)O)C[C@@H]1c1ccccc1.
What is the InChIKey of 2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid?
The InChIKey is WMCHFEQQJSVAEY-BFYDXBDKSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)14-8-17(11-18,10-16(19)20)9-15(14)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,18H2,1-2H3,(H,19,20)/t14-,15-,17-/m1/s1.
What are the key properties of 2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid?
2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid has a molecular weight of 275.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S,4R)-1-(aminomethyl)-3-phenyl-4-propan-2-ylcyclopentyl]acetic acid is sourced from PubChem (CID 20598255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).