5-amino-5-(2-ethoxyphenyl)pentanoic acid

C13H19NO3 — CID 82367142

IUPAC5-amino-5-(2-ethoxyphenyl)pentanoic acid
SMILESCCOc1ccccc1C(N)CCCC(=O)O
InChIInChI=1S/C13H19NO3/c1-2-17-12-8-4-3-6-10(12)11(14)7-5-9-13(15)16/h3-4,6,8,11H,2,5,7,9,14H2,1H3,(H,15,16)
InChIKeyKDSDSJGMLYNHLV-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.34
Rot. Bonds7

About 5-amino-5-(2-ethoxyphenyl)pentanoic acid

5-amino-5-(2-ethoxyphenyl)pentanoic acid (PubChem CID 82367142) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-amino-5-(2-ethoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-(2-ethoxyphenyl)pentanoic acid
PubChem CID82367142
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-amino-5-(2-ethoxyphenyl)pentanoic acid
SMILESCCOc1ccccc1C(N)CCCC(=O)O
InChIInChI=1S/C13H19NO3/c1-2-17-12-8-4-3-6-10(12)11(14)7-5-9-13(15)16/h3-4,6,8,11H,2,5,7,9,14H2,1H3,(H,15,16)
InChIKeyKDSDSJGMLYNHLV-UHFFFAOYSA-N
XLogP2.34
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid
CID 165348822
(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid
CID 28931104
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
4-amino-4-(2-ethoxy-6-hydroxyphenyl)butanoic acid
CID 117350552
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
4-amino-3-(2-ethoxyphenyl)pentanoic acid
CID 66098544
4-amino-4-[2-(difluoromethoxy)phenyl]butanoic acid
CID 117364212
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide
CID 30076593
(1S)-1-(2-ethoxyphenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171221760
(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171214274
4-amino-4-(4-ethoxy-2,3-difluorophenyl)butanoic acid
CID 117401243

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(2-ethoxyphenyl)pentanoic acid?
The IUPAC name of 5-amino-5-(2-ethoxyphenyl)pentanoic acid (CID 82367142) is 5-amino-5-(2-ethoxyphenyl)pentanoic acid.
What is the SMILES notation for 5-amino-5-(2-ethoxyphenyl)pentanoic acid?
The canonical SMILES for 5-amino-5-(2-ethoxyphenyl)pentanoic acid is CCOc1ccccc1C(N)CCCC(=O)O.
What is the InChIKey of 5-amino-5-(2-ethoxyphenyl)pentanoic acid?
The InChIKey is KDSDSJGMLYNHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-17-12-8-4-3-6-10(12)11(14)7-5-9-13(15)16/h3-4,6,8,11H,2,5,7,9,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-5-(2-ethoxyphenyl)pentanoic acid?
5-amino-5-(2-ethoxyphenyl)pentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(2-ethoxyphenyl)pentanoic acid is sourced from PubChem (CID 82367142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).