(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid

C15H23NO4 — CID 28931104

IUPAC(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid
SMILESCCOc1ccc([C@H](N)CCCC(=O)O)cc1OCC
InChIInChI=1S/C15H23NO4/c1-3-19-13-9-8-11(10-14(13)20-4-2)12(16)6-5-7-15(17)18/h8-10,12H,3-7,16H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyWBEIXINHBUAXJC-GFCCVEGCSA-N
MW281.35 g/mol
LogP2.74
Rot. Bonds9

About (5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid

(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid (PubChem CID 28931104) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid
PubChem CID28931104
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid
SMILESCCOc1ccc([C@H](N)CCCC(=O)O)cc1OCC
InChIInChI=1S/C15H23NO4/c1-3-19-13-9-8-11(10-14(13)20-4-2)12(16)6-5-7-15(17)18/h8-10,12H,3-7,16H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyWBEIXINHBUAXJC-GFCCVEGCSA-N
XLogP2.74
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-diethoxyphenyl)-6-hydroxyhexanoic acid
CID 43447097
(5R)-5-amino-5-[3-methoxy-4-(2-methylpropoxy)phenyl]pentanoic acid
CID 165351774
5-amino-5-(2-ethoxyphenyl)pentanoic acid
CID 82367142
5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
CID 54908179
(5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid
CID 165348822
3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propanoic acid
CID 16642004
(4S)-4-amino-4-(4-ethoxy-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171231868
3-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoic acid
CID 21082339
(3S)-3-amino-3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
CID 9152526
(4S)-4-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride
CID 171230057
(1S)-1-(4-ethoxy-3-methoxyphenyl)butane-1,4-diamine
CID 171231816
(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802

Frequently Asked Questions

What is the IUPAC name of (5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid?
The IUPAC name of (5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid (CID 28931104) is (5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid.
What is the SMILES notation for (5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid?
The canonical SMILES for (5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid is CCOc1ccc([C@H](N)CCCC(=O)O)cc1OCC.
What is the InChIKey of (5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid?
The InChIKey is WBEIXINHBUAXJC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-19-13-9-8-11(10-14(13)20-4-2)12(16)6-5-7-15(17)18/h8-10,12H,3-7,16H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid?
(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid is sourced from PubChem (CID 28931104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).