3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid

C10H21NO4 — CID 106159803

IUPAC3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid
SMILESCOCC(CCO)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H21NO4/c1-10(2,9(13)14)7-11-8(4-5-12)6-15-3/h8,11-12H,4-7H2,1-3H3,(H,13,14)
InChIKeyMOEJWWXMGNHNOA-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.08
Rot. Bonds8

About 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid

3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid (PubChem CID 106159803) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid
PubChem CID106159803
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid
SMILESCOCC(CCO)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H21NO4/c1-10(2,9(13)14)7-11-8(4-5-12)6-15-3/h8,11-12H,4-7H2,1-3H3,(H,13,14)
InChIKeyMOEJWWXMGNHNOA-UHFFFAOYSA-N
XLogP0.08
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 106155459
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 106159700
N-tert-butyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159964
3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid
CID 106349473
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
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-morpholin-4-ylethanone
CID 106159597
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide
CID 106156919
methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate
CID 104644556
2-(tert-butylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103850862
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 106159877
3-(2-ethylbutylamino)-4-methoxybutan-1-ol
CID 115756936

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid (CID 106159803) is 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid is COCC(CCO)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is MOEJWWXMGNHNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-10(2,9(13)14)7-11-8(4-5-12)6-15-3/h8,11-12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid?
3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 219.28 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 106159803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).