methyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate

C10H21NO3 — CID 81412028

IUPACmethyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCC(C)(C)CO
InChIInChI=1S/C10H21NO3/c1-9(2,7-12)6-11-10(3,4)8(13)14-5/h11-12H,6-7H2,1-5H3
InChIKeyMXBJUIGORYMDEK-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.55
Rot. Bonds5

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

methyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate (PubChem CID 81412028) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate
PubChem CID81412028
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCC(C)(C)CO
InChIInChI=1S/C10H21NO3/c1-9(2,7-12)6-11-10(3,4)8(13)14-5/h11-12H,6-7H2,1-5H3
InChIKeyMXBJUIGORYMDEK-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Propanoic acid, 3-[(2-hydroxy-1,1-dimethylethyl)amino]-2-methyl-
CID 43538678
N-(3-Methoxy-3-oxopropyl)-2-methylalanine methyl ester
CID 13601736
Tert-butyl (3-hydroxypropylamino)-acetate
CID 60678886
2-[[1-[(2S)-2-aminopropanoyl]oxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
CID 123787942
2-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propanoic acid
CID 65263586
2-(3-Ethoxypropylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790344
3,3,3-Trifluoro-2-(3-methoxypropylamino)-2-methylpropanoic acid
CID 79790771
Methyl 2-[(2-methoxyethyl)amino]-2-methylpropanoate
CID 575693
Methyl 2-methyl-2-(propylamino)propanoate
CID 3614376
Tricine ethyl ester
CID 18320032
Methyl 3-hydroxy-2-(2-methylpropylamino)propanoate
CID 18423903
Ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetate
CID 18765533

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate (CID 81412028) is methyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NCC(C)(C)CO.
What is the InChIKey of methyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate?
The InChIKey is MXBJUIGORYMDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(2,7-12)6-11-10(3,4)8(13)14-5/h11-12H,6-7H2,1-5H3.
What are the key properties of methyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate?
methyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate has a molecular weight of 203.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate is sourced from PubChem (CID 81412028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).