methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate

C11H23NO3 — CID 79360906

IUPACmethyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NCCC(C)(C)O)C(C)C
InChIInChI=1S/C11H23NO3/c1-8(2)9(10(13)15-5)12-7-6-11(3,4)14/h8-9,12,14H,6-7H2,1-5H3
InChIKeyNRKDDTNFCUMVQD-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.93
Rot. Bonds6

About methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate

methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate (PubChem CID 79360906) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate
PubChem CID79360906
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namemethyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NCCC(C)(C)O)C(C)C
InChIInChI=1S/C11H23NO3/c1-8(2)9(10(13)15-5)12-7-6-11(3,4)14/h8-9,12,14H,6-7H2,1-5H3
InChIKeyNRKDDTNFCUMVQD-UHFFFAOYSA-N
XLogP0.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(dodecylamino)-3-methylbutanoate
CID 63402058
methyl 2-[(2-hydroxy-2,3-dimethylbutyl)amino]-3-methylbutanoate
CID 114492798
methyl 2-[[3-[6-[3-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]propanoyloxy]hexoxy]-3-oxopropyl]amino]-3-methylbutanoate
CID 163822357
methyl 3-methyl-2-[2-(2-methylpropoxy)ethylamino]butanoate
CID 106451614
methyl 3-methyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoate
CID 62623948
methyl 3-methyl-2-(3,4,4-trifluorobut-3-enylamino)butanoate
CID 15239151
methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate
CID 62375494
methyl (2S)-2-(3,3-dimethylbutylamino)propanoate
CID 54129426
tert-butyl (2S)-2-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate
CID 21309732
methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate
CID 107441353
methyl (2S)-2-[(4-tert-butylphenyl)methylamino]-3-methylbutanoate
CID 43386442
(2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol
CID 79355054

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate (CID 79360906) is methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate is COC(=O)C(NCCC(C)(C)O)C(C)C.
What is the InChIKey of methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate?
The InChIKey is NRKDDTNFCUMVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(2)9(10(13)15-5)12-7-6-11(3,4)14/h8-9,12,14H,6-7H2,1-5H3.
What are the key properties of methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate?
methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate has a molecular weight of 217.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate is sourced from PubChem (CID 79360906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).