(5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid

C15H23NO4 — CID 165348822

IUPAC(5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid
SMILESCCOc1ccc([C@@H](N)CCCC(=O)O)c(OCC)c1
InChIInChI=1S/C15H23NO4/c1-3-19-11-8-9-12(14(10-11)20-4-2)13(16)6-5-7-15(17)18/h8-10,13H,3-7,16H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyDYPUILZCFVJNQT-ZDUSSCGKSA-N
MW281.35 g/mol
LogP2.74
Rot. Bonds9

About (5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid

(5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid (PubChem CID 165348822) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name(5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid
PubChem CID165348822
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid
SMILESCCOc1ccc([C@@H](N)CCCC(=O)O)c(OCC)c1
InChIInChI=1S/C15H23NO4/c1-3-19-11-8-9-12(14(10-11)20-4-2)13(16)6-5-7-15(17)18/h8-10,13H,3-7,16H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyDYPUILZCFVJNQT-ZDUSSCGKSA-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

5-amino-5-(2-ethoxyphenyl)pentanoic acid
CID 82367142
(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid
CID 28931104
(5R)-5-(2-bromo-4-ethoxyphenyl)-5-hydroxypentanoic acid
CID 114207347
5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid
CID 43561605
4-amino-4-(4-ethoxy-2,3-difluorophenyl)butanoic acid
CID 117401243
2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid
CID 117323079
3-amino-3-(4-ethoxy-2-ethylphenyl)propanoic acid
CID 3563423
4-(2,5-diethoxyanilino)butanoic acid
CID 18071438
1-(2,4-dipropoxyphenyl)butan-1-amine
CID 82551376
4-amino-4-(5-chloro-4-ethoxy-2-methylphenyl)butanoic acid
CID 112519868
2,4-diethoxybenzamide
CID 17145726
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid?
The IUPAC name of (5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid (CID 165348822) is (5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid.
What is the SMILES notation for (5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid?
The canonical SMILES for (5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid is CCOc1ccc([C@@H](N)CCCC(=O)O)c(OCC)c1.
What is the InChIKey of (5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid?
The InChIKey is DYPUILZCFVJNQT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-19-11-8-9-12(14(10-11)20-4-2)13(16)6-5-7-15(17)18/h8-10,13H,3-7,16H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid?
(5S)-5-amino-5-(2,4-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 (5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid is sourced from PubChem (CID 165348822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).