(3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid

C14H19NO3 — CID 1382002

IUPAC(3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid
SMILESN[C@H](CC(=O)O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H19NO3/c15-13(9-14(16)17)10-5-7-12(8-6-10)18-11-3-1-2-4-11/h5-8,11,13H,1-4,9,15H2,(H,16,17)/t13-/m1/s1
InChIKeyWYWOTSWUJAQKCG-CYBMUJFWSA-N
MW249.31 g/mol
LogP2.48
Rot. Bonds5

About (3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid

(3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid (PubChem CID 1382002) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid
PubChem CID1382002
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid
SMILESN[C@H](CC(=O)O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H19NO3/c15-13(9-14(16)17)10-5-7-12(8-6-10)18-11-3-1-2-4-11/h5-8,11,13H,1-4,9,15H2,(H,16,17)/t13-/m1/s1
InChIKeyWYWOTSWUJAQKCG-CYBMUJFWSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
CID 22022327
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CID 117427330
3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid
CID 117376397
4-amino-4-[4-(oxan-4-yloxy)phenyl]butanoic acid
CID 117447904
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
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2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
CID 105051379
3-amino-3-[3-(oxan-4-yloxy)phenyl]propanoic acid
CID 117417180
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 82366864
3-(4-cyclopentyloxyphenyl)-3-(2-phenoxypropanoylamino)propanoic acid
CID 4917671
2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid
CID 82480584
3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one
CID 119950821

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid (CID 1382002) is (3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid is N[C@H](CC(=O)O)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of (3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid?
The InChIKey is WYWOTSWUJAQKCG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO3/c15-13(9-14(16)17)10-5-7-12(8-6-10)18-11-3-1-2-4-11/h5-8,11,13H,1-4,9,15H2,(H,16,17)/t13-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid?
(3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-cyclopentyloxyphenyl)propanoic acid is sourced from PubChem (CID 1382002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).