[(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate

C10H21NO2 — CID 89201508

IUPAC[(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate
SMILESCC(C)[C@H](N)COC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)8(11)6-13-9(12)10(3,4)5/h7-8H,6,11H2,1-5H3/t8-/m1/s1
InChIKeyDXDRZTAEZXFEIB-MRVPVSSYSA-N
MW187.28 g/mol
LogP1.56
Rot. Bonds3

About [(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate

[(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate (PubChem CID 89201508) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is [(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate
PubChem CID89201508
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name[(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate
SMILESCC(C)[C@H](N)COC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)8(11)6-13-9(12)10(3,4)5/h7-8H,6,11H2,1-5H3/t8-/m1/s1
InChIKeyDXDRZTAEZXFEIB-MRVPVSSYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
CID 59464527
[2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate
CID 169049082
2-methylbutyl 2,2-dimethylpropanoate
CID 20746726
[5-(2,2-dimethylpropanoyloxy)-4-methylpentyl] 2,2-dimethylpropanoate
CID 151303076
2,3-dichloropropyl 2,2-dimethylpropanoate
CID 102162680
3-chlorobutyl 2,2-dimethylpropanoate
CID 11672837
[(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate
CID 58818558
5-methylheptyl 2,2-dimethylpropanoate
CID 174762068
(2-amino-3-bromo-4-methylpentyl) 2,2,2-trifluoroacetate
CID 174931876
[2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 153381894
5-methylhexyl 2,2-dimethylpropanoate
CID 88620729
2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate
CID 134213072

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate (CID 89201508) is [(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate is CC(C)[C@H](N)COC(=O)C(C)(C)C.
What is the InChIKey of [(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate?
The InChIKey is DXDRZTAEZXFEIB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)8(11)6-13-9(12)10(3,4)5/h7-8H,6,11H2,1-5H3/t8-/m1/s1.
What are the key properties of [(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate?
[(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate has a molecular weight of 187.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-3-methylbutyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 89201508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).