2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid

C14H27NO8 — CID 175053259

IUPAC2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid
SMILESCCCC(=O)OCCN(CC)CC.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C10H21NO2.C4H6O6/c1-4-7-10(12)13-9-8-11(5-2)6-3;5-1(3(7)8)2(6)4(9)10/h4-9H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyGBFKRBCRWZBIHV-UHFFFAOYSA-N
MW337.37 g/mol
LogP-0.45
Rot. Bonds10

About 2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid

2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid (PubChem CID 175053259) has the molecular formula C14H27NO8 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Name2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid
PubChem CID175053259
Molecular FormulaC14H27NO8
Molecular Weight337.37 g/mol
Exact Mass337.17
IUPAC Name2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid
SMILESCCCC(=O)OCCN(CC)CC.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C10H21NO2.C4H6O6/c1-4-7-10(12)13-9-8-11(5-2)6-3;5-1(3(7)8)2(6)4(9)10/h4-9H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyGBFKRBCRWZBIHV-UHFFFAOYSA-N
XLogP-0.45
TPSA144.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-(diethylamino)ethyl hexanoate;2,3-dihydroxybutanedioic acid
CID 162304466
4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid
CID 87383498
2-(diethylamino)ethyl pentanoate
CID 14795466
azane;4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid
CID 87383497
2-[2-butanoyloxyethyl-[2-(3-methylbutanoyloxy)ethyl]amino]ethyl 3-methylbutanoate
CID 146564672
2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-butanoyloxyethyl)amino]ethyl-(2-butanoyloxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid
CID 10485447
2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423
2,3-dihydroxybutanedioic acid;methyl butanoate
CID 174661800
2-[3-(diethylamino)propyl-(2-dodecanoyloxyethyl)amino]ethyl dodecanoate
CID 87792051
2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate
CID 142778230
3-butanoyloxypropanoic acid;ethane
CID 159299960
5-butoxy-2-hydroxy-5-oxopentanoic acid
CID 174935037

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid?
The IUPAC name of 2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid (CID 175053259) is 2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid.
What is the SMILES notation for 2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid?
The canonical SMILES for 2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid is CCCC(=O)OCCN(CC)CC.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid?
The InChIKey is GBFKRBCRWZBIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.C4H6O6/c1-4-7-10(12)13-9-8-11(5-2)6-3;5-1(3(7)8)2(6)4(9)10/h4-9H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid?
2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid has a molecular weight of 337.37 g/mol, XLogP of -0.45, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 175053259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).