4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid

C9H18N2O4 — CID 170721410

IUPAC4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
SMILESCN(C)CCOC(=O)C(N)CCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-11(2)5-6-15-9(14)7(10)3-4-8(12)13/h7H,3-6,10H2,1-2H3,(H,12,13)
InChIKeyWLPRWXIMSOQMEV-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.72
Rot. Bonds7

About 4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid

4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid (PubChem CID 170721410) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
PubChem CID170721410
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
SMILESCN(C)CCOC(=O)C(N)CCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-11(2)5-6-15-9(14)7(10)3-4-8(12)13/h7H,3-6,10H2,1-2H3,(H,12,13)
InChIKeyWLPRWXIMSOQMEV-UHFFFAOYSA-N
XLogP-0.72
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-aminopentanedioic acid;2-(dimethylamino)ethanol
CID 23619747
(4S)-4-amino-5-[2-[(4-methyl-3-oxopentyl)-(2-methylpropanoyl)amino]ethoxy]-5-oxopentanoic acid
CID 172503483
2-(2-amino-4-carboxybutanoyl)oxyethyl-trimethylazanium chloride
CID 3028000
(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988
disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride
CID 173171637
4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid
CID 88870224
4-amino-5-oxo-5-pentoxypentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol
CID 146306787
(4S)-4-(butylamino)-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
CID 88683044
sodium;(4S)-4-amino-5-dodecoxy-5-oxopentanoic acid;hydride
CID 174776148
4-amino-5-oxo-5-(2-oxopropanoyloxy)pentanoic acid
CID 19065649
bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate
CID 174588921
2-(dimethylamino)ethyl 2-hydroxypropanoate
CID 14179203

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid (CID 170721410) is 4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid is CN(C)CCOC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid?
The InChIKey is WLPRWXIMSOQMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-11(2)5-6-15-9(14)7(10)3-4-8(12)13/h7H,3-6,10H2,1-2H3,(H,12,13).
What are the key properties of 4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid?
4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.72, 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-(dimethylamino)ethoxy]-5-oxopentanoic acid is sourced from PubChem (CID 170721410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).