4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid

C10H19NO5 — CID 65302623

IUPAC4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)N(CCO)CCO)C(=O)O
InChIInChI=1S/C10H19NO5/c1-10(2,9(15)16)7-8(14)11(3-5-12)4-6-13/h12-13H,3-7H2,1-2H3,(H,15,16)
InChIKeyARHGPCRWFQQEPZ-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.70
Rot. Bonds7

About 4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65302623) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65302623
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)N(CCO)CCO)C(=O)O
InChIInChI=1S/C10H19NO5/c1-10(2,9(15)16)7-8(14)11(3-5-12)4-6-13/h12-13H,3-7H2,1-2H3,(H,15,16)
InChIKeyARHGPCRWFQQEPZ-UHFFFAOYSA-N
XLogP-0.70
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302582
4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65297807
3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide
CID 61235446
4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 54875034
3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid
CID 22902542
3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 64684879
4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299719
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 107483272
4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302588
2,2-dimethylbutanedioic acid;hydrochloride
CID 87625816
4,5-dibromo-2,2,7,7-tetramethyloct-4-enedioic acid
CID 175504746
2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid
CID 91844643

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65302623) is 4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)N(CCO)CCO)C(=O)O.
What is the InChIKey of 4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is ARHGPCRWFQQEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-10(2,9(15)16)7-8(14)11(3-5-12)4-6-13/h12-13H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 233.26 g/mol, XLogP of -0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65302623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).