4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid

C9H17NO4 — CID 110465776

IUPAC4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid
SMILESCC(C)(CO)CNC(=O)CCC(=O)O
InChIInChI=1S/C9H17NO4/c1-9(2,6-11)5-10-7(12)3-4-8(13)14/h11H,3-6H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyNYVQCQUEEGERRL-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.01
Rot. Bonds6

About 4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid

4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid (PubChem CID 110465776) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid
PubChem CID110465776
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid
SMILESCC(C)(CO)CNC(=O)CCC(=O)O
InChIInChI=1S/C9H17NO4/c1-9(2,6-11)5-10-7(12)3-4-8(13)14/h11H,3-6H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyNYVQCQUEEGERRL-UHFFFAOYSA-N
XLogP-0.01
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(3-hydroxy-2,2-dimethylpropyl)pentanamide
CID 115360270
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106275580
4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 114940625
3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide
CID 4135025
3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115357817
6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid
CID 115359916
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103820669
N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide
CID 154969198
4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid
CID 61166887
3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106145976
N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide
CID 50971913
3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid
CID 115358309

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid (CID 110465776) is 4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid is CC(C)(CO)CNC(=O)CCC(=O)O.
What is the InChIKey of 4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid?
The InChIKey is NYVQCQUEEGERRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(2,6-11)5-10-7(12)3-4-8(13)14/h11H,3-6H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid?
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 110465776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).