methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate

C10H21NO4 — CID 115976307

IUPACmethyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CN(C)CCC(C)O
InChIInChI=1S/C10H21NO4/c1-8(12)5-6-11(3)7-10(2,14)9(13)15-4/h8,12,14H,5-7H2,1-4H3
InChIKeyDAQHMJFLEOIFEE-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.39
Rot. Bonds6

About methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate

methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate (PubChem CID 115976307) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate
PubChem CID115976307
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Namemethyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CN(C)CCC(C)O
InChIInChI=1S/C10H21NO4/c1-8(12)5-6-11(3)7-10(2,14)9(13)15-4/h8,12,14H,5-7H2,1-4H3
InChIKeyDAQHMJFLEOIFEE-UHFFFAOYSA-N
XLogP-0.39
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoate
CID 104645223
methyl 2-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate
CID 112661457
4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol
CID 113499938
N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 113246222
methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate
CID 63916861
tert-butyl-[(3S)-3-hydroxybutyl]carbamic acid
CID 87319200
2-hydroxy-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81056783
2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 111488551
N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665848
4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol
CID 103710589
methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate
CID 79624643
4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide
CID 82724624

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate (CID 115976307) is methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate is COC(=O)C(C)(O)CN(C)CCC(C)O.
What is the InChIKey of methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate?
The InChIKey is DAQHMJFLEOIFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-8(12)5-6-11(3)7-10(2,14)9(13)15-4/h8,12,14H,5-7H2,1-4H3.
What are the key properties of methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate?
methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate has a molecular weight of 219.28 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[3-hydroxybutyl(methyl)amino]-2-methylpropanoate is sourced from PubChem (CID 115976307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).