4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid

C10H19NO5 — CID 87383498

IUPAC4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid
SMILESCCN(CC)CCOC(=O)CC(O)C(=O)O
InChIInChI=1S/C10H19NO5/c1-3-11(4-2)5-6-16-9(13)7-8(12)10(14)15/h8,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyMZFCPAYZBCVVQM-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.29
Rot. Bonds8

About 4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid

4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid (PubChem CID 87383498) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid
PubChem CID87383498
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid
SMILESCCN(CC)CCOC(=O)CC(O)C(=O)O
InChIInChI=1S/C10H19NO5/c1-3-11(4-2)5-6-16-9(13)7-8(12)10(14)15/h8,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyMZFCPAYZBCVVQM-UHFFFAOYSA-N
XLogP-0.29
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

azane;4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid
CID 87383497
2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423
2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid
CID 175053259
2-(diethylamino)ethyl hexanoate;2,3-dihydroxybutanedioic acid
CID 162304466
2-(diethylamino)ethyl pentanoate
CID 14795466
2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate
CID 91507579
ethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane
CID 173084371
2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate
CID 142778230
N,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid
CID 87904263
2-[bis[2-(3-sulfanylbutanoyloxy)ethyl]amino]ethyl 3-sulfanylbutanoate
CID 137491943
[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659271
2-[3-(diethylamino)propyl-(2-dodecanoyloxyethyl)amino]ethyl dodecanoate
CID 87792051

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid?
The IUPAC name of 4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid (CID 87383498) is 4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid is CCN(CC)CCOC(=O)CC(O)C(=O)O.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid?
The InChIKey is MZFCPAYZBCVVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-3-11(4-2)5-6-16-9(13)7-8(12)10(14)15/h8,12H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid?
4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid has a molecular weight of 233.26 g/mol, XLogP of -0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid is sourced from PubChem (CID 87383498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).