methyl (2R)-2-amino-2-methylhexanoate

C8H17NO2 — CID 155453684

IUPACmethyl (2R)-2-amino-2-methylhexanoate
SMILESCCCC[C@@](C)(N)C(=O)OC
InChIInChI=1S/C8H17NO2/c1-4-5-6-8(2,9)7(10)11-3/h4-6,9H2,1-3H3/t8-/m1/s1
InChIKeyIGTOVLOSICUPPH-MRVPVSSYSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds4

About methyl (2R)-2-amino-2-methylhexanoate

methyl (2R)-2-amino-2-methylhexanoate (PubChem CID 155453684) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-methylhexanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-methylhexanoate
PubChem CID155453684
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namemethyl (2R)-2-amino-2-methylhexanoate
SMILESCCCC[C@@](C)(N)C(=O)OC
InChIInChI=1S/C8H17NO2/c1-4-5-6-8(2,9)7(10)11-3/h4-6,9H2,1-3H3/t8-/m1/s1
InChIKeyIGTOVLOSICUPPH-MRVPVSSYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-6-hydroxy-2-methylhexanoate
CID 88883524
methyl 2-amino-2-butylhexanoate;hydrochloride
CID 162216697
methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate
CID 63686600
iodomethyl 2-amino-2-methylhexanoate
CID 155453624
ethyl (2R)-2-amino-2-methyltridecanoate
CID 125497893
methyl 2-methoxy-2-methylhexanoate
CID 91619299
ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride
CID 11817243
4-amino-4-methyloctan-3-one
CID 158308473
λ2-stannane;methyl 2,2-dibutylhexanoate
CID 174859558
methyl 2-amino-2-hydroxytetradecanoate
CID 174591192
methyl 2-amino-6-(3-methoxypropylsulfanyl)-2-methylhexanoate
CID 55261313
dimethyl 2-butyl-2,4,4-trimethylpentanedioate
CID 18710794

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-methylhexanoate?
The IUPAC name of methyl (2R)-2-amino-2-methylhexanoate (CID 155453684) is methyl (2R)-2-amino-2-methylhexanoate.
What is the SMILES notation for methyl (2R)-2-amino-2-methylhexanoate?
The canonical SMILES for methyl (2R)-2-amino-2-methylhexanoate is CCCC[C@@](C)(N)C(=O)OC.
What is the InChIKey of methyl (2R)-2-amino-2-methylhexanoate?
The InChIKey is IGTOVLOSICUPPH-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-5-6-8(2,9)7(10)11-3/h4-6,9H2,1-3H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-methylhexanoate?
methyl (2R)-2-amino-2-methylhexanoate has a molecular weight of 159.23 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-methylhexanoate is sourced from PubChem (CID 155453684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).