tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate

C10H21NO2 — CID 124571858

IUPACtert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate
SMILESCC[C@](C)(CN)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-6-10(5,7-11)8(12)13-9(2,3)4/h6-7,11H2,1-5H3/t10-/m1/s1
InChIKeyNVQKYRATYWFDNZ-SNVBAGLBSA-N
MW187.28 g/mol
LogP1.70
Rot. Bonds3

About tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate

tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate (PubChem CID 124571858) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate
PubChem CID124571858
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nametert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate
SMILESCC[C@](C)(CN)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-6-10(5,7-11)8(12)13-9(2,3)4/h6-7,11H2,1-5H3/t10-/m1/s1
InChIKeyNVQKYRATYWFDNZ-SNVBAGLBSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(chloromethyl)-2-methylbutanoate
CID 158378960
tert-butyl 2-ethyl-2,4-dimethylpentanoate
CID 90805514
tert-butyl 2-amino-2-methylbutanoate
CID 57065148
(3-methoxy-3-methylbutyl) 2-(aminomethyl)-2-methylbutanoate
CID 106665977
(2S)-2-(aminomethyl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 54139395
5-(aminomethyl)-1,1,1-trifluoro-5-methylheptan-4-one
CID 116611006
tert-butyl 2-ethyl-5-methoxy-2,4,4-trimethylhex-5-enoate
CID 89223123
tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 88590008
tert-butyl (2S)-2-(aminomethyl)-2-methyl-3-oxopropanoate
CID 174505401
3-O-tert-butyl 1-O-ethyl (2R)-2-fluoro-2-methylpropanedioate
CID 126688340
ditert-butyl 2-(2-aminoethyl)-2-methylbutanedioate;hydrochloride
CID 158367193
3-O-tert-butyl 1-O-methyl (2R)-2-ethyl-2-fluoropropanedioate
CID 25265204

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate?
The IUPAC name of tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate (CID 124571858) is tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate.
What is the SMILES notation for tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate?
The canonical SMILES for tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate is CC[C@](C)(CN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate?
The InChIKey is NVQKYRATYWFDNZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-10(5,7-11)8(12)13-9(2,3)4/h6-7,11H2,1-5H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate?
tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate has a molecular weight of 187.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate is sourced from PubChem (CID 124571858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).