4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid

C13H17NO5 — CID 82348759

IUPAC4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid
SMILESCOc1ccc(OC)c(C(=O)C(N)CCC(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-18-8-3-5-11(19-2)9(7-8)13(17)10(14)4-6-12(15)16/h3,5,7,10H,4,6,14H2,1-2H3,(H,15,16)
InChIKeyNIDYDEIOEQAMHU-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.08
Rot. Bonds7

About 4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid

4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid (PubChem CID 82348759) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid
PubChem CID82348759
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid
SMILESCOc1ccc(OC)c(C(=O)C(N)CCC(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-18-8-3-5-11(19-2)9(7-8)13(17)10(14)4-6-12(15)16/h3,5,7,10H,4,6,14H2,1-2H3,(H,15,16)
InChIKeyNIDYDEIOEQAMHU-UHFFFAOYSA-N
XLogP1.08
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-amino-5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoic acid
CID 27282578
1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone
CID 79492414
6-amino-1-(2,5-dimethoxyphenyl)-2-methylheptan-1-one
CID 116574273
4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 6493924
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone
CID 82626892
(4S)-4-amino-5-(2,4-dimethoxyphenyl)pentanoic acid
CID 27282138
methyl 3-(2,5-dimethoxyphenyl)-2-methyl-3-oxopropanoate
CID 112508924
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
2-chloro-1-(2,5-dimethoxyphenyl)butan-1-one
CID 82254816
methyl 2-chloro-3-(2,5-dimethoxyphenyl)-3-oxopropanoate
CID 112513730
(2S)-2-aminopentanedioic acid;anisole
CID 70447699
1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one
CID 116707667

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid (CID 82348759) is 4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid is COc1ccc(OC)c(C(=O)C(N)CCC(=O)O)c1.
What is the InChIKey of 4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid?
The InChIKey is NIDYDEIOEQAMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-18-8-3-5-11(19-2)9(7-8)13(17)10(14)4-6-12(15)16/h3,5,7,10H,4,6,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid?
4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid has a molecular weight of 267.28 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid is sourced from PubChem (CID 82348759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).