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

C11H21NO4 — CID 65302582

IUPAC4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)N(CCO)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-8(2)12(5-6-13)9(14)7-11(3,4)10(15)16/h8,13H,5-7H2,1-4H3,(H,15,16)
InChIKeyYHLOURCTCIFQIA-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.72
Rot. Bonds6

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

4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65302582) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65302582
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)N(CCO)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-8(2)12(5-6-13)9(14)7-11(3,4)10(15)16/h8,13H,5-7H2,1-4H3,(H,15,16)
InChIKeyYHLOURCTCIFQIA-UHFFFAOYSA-N
XLogP0.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoic acid
CID 43578399
4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302623
5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934926
2-(tert-butylamino)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 79256541
2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572975
2-[bis(2-hydroxyethyl)amino]ethanol;2,2,4-trimethylpentanoic acid
CID 91844643
2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804995
3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 54994879
3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid
CID 22902542
3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 54916197
N-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103017277
3-(ethylamino)-N-(2-hydroxyethyl)-N-propan-2-ylbutanamide
CID 62838618

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65302582) is 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid is CC(C)N(CCO)C(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is YHLOURCTCIFQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(2)12(5-6-13)9(14)7-11(3,4)10(15)16/h8,13H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65302582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).