3-methylbutyl 2-amino-2-methylbutanoate

C10H21NO2 — CID 79798258

IUPAC3-methylbutyl 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OCCC(C)C
InChIInChI=1S/C10H21NO2/c1-5-10(4,11)9(12)13-7-6-8(2)3/h8H,5-7,11H2,1-4H3
InChIKeyNFCFUPCMTUSANQ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.70
Rot. Bonds5

About 3-methylbutyl 2-amino-2-methylbutanoate

3-methylbutyl 2-amino-2-methylbutanoate (PubChem CID 79798258) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-methylbutyl 2-amino-2-methylbutanoate.

Molecular Properties

Compound Name3-methylbutyl 2-amino-2-methylbutanoate
PubChem CID79798258
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-methylbutyl 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OCCC(C)C
InChIInChI=1S/C10H21NO2/c1-5-10(4,11)9(12)13-7-6-8(2)3/h8H,5-7,11H2,1-4H3
InChIKeyNFCFUPCMTUSANQ-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

propyl (2S)-2-amino-2-methylbutanoate
CID 92977098
1-O-butyl 3-O-(3-methylbutyl) 2,2-dimethylpropanedioate
CID 91699198
1-O-(3-methylbutyl) 3-O-nonyl 2,2-dimethylpropanedioate
CID 91691712
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylbutanoate
CID 112588233
octyl 2-amino-2-methylbutanoate
CID 79798177
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
hexyl (2S)-2-amino-2-methylbutanoate;hydrochloride
CID 162724688
3-methylbutyl acetate;propyl 2,2-dimethylpropanoate
CID 174975748
1-O-hexadecyl 3-O-(3-methylbutyl) 2,2-diethylpropanedioate
CID 91709081
1-O-(3-methylbutyl) 3-O-tridecyl 2,2-diethylpropanedioate
CID 91705368
1-O-(3-methylbutyl) 3-O-octyl 2,2-diethylpropanedioate
CID 91705470
1-O-(3-methylbutyl) 3-O-octadecyl 2,2-diethylpropanedioate
CID 91709082

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 2-amino-2-methylbutanoate?
The IUPAC name of 3-methylbutyl 2-amino-2-methylbutanoate (CID 79798258) is 3-methylbutyl 2-amino-2-methylbutanoate.
What is the SMILES notation for 3-methylbutyl 2-amino-2-methylbutanoate?
The canonical SMILES for 3-methylbutyl 2-amino-2-methylbutanoate is CCC(C)(N)C(=O)OCCC(C)C.
What is the InChIKey of 3-methylbutyl 2-amino-2-methylbutanoate?
The InChIKey is NFCFUPCMTUSANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-10(4,11)9(12)13-7-6-8(2)3/h8H,5-7,11H2,1-4H3.
What are the key properties of 3-methylbutyl 2-amino-2-methylbutanoate?
3-methylbutyl 2-amino-2-methylbutanoate has a molecular weight of 187.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 2-amino-2-methylbutanoate is sourced from PubChem (CID 79798258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).