4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid

C11H21NO5 — CID 106155459

IUPAC4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCOCC(CCO)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO5/c1-11(2,10(15)16)6-9(14)12-8(4-5-13)7-17-3/h8,13H,4-7H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyUCCPZHZEJIBHIR-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.00
Rot. Bonds8

About 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 106155459) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID106155459
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCOCC(CCO)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO5/c1-11(2,10(15)16)6-9(14)12-8(4-5-13)7-17-3/h8,13H,4-7H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyUCCPZHZEJIBHIR-UHFFFAOYSA-N
XLogP0.00
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid with MolForge

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Related Compounds

3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 106159803
2-(tert-butylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103850862
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid
CID 106155382
2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutanamide
CID 106161090
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998
N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide
CID 106155980
2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbutanamide
CID 106160983
3-cyclopentyl-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799344
3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103525153
2-cyclopentyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799597
N-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
CID 106183678
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-phenylpropanamide
CID 106161030

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 106155459) is 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid is COCC(CCO)NC(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is UCCPZHZEJIBHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-11(2,10(15)16)6-9(14)12-8(4-5-13)7-17-3/h8,13H,4-7H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 247.29 g/mol, XLogP of 0.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 106155459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).