propan-2-yl 2-amino-2,3-dimethylbutanoate

C9H19NO2 — CID 18780772

IUPACpropan-2-yl 2-amino-2,3-dimethylbutanoate
SMILESCC(C)OC(=O)C(C)(N)C(C)C
InChIInChI=1S/C9H19NO2/c1-6(2)9(5,10)8(11)12-7(3)4/h6-7H,10H2,1-5H3
InChIKeyYVTFVJMEJBVARL-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.31
Rot. Bonds3

About propan-2-yl 2-amino-2,3-dimethylbutanoate

propan-2-yl 2-amino-2,3-dimethylbutanoate (PubChem CID 18780772) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is propan-2-yl 2-amino-2,3-dimethylbutanoate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-2,3-dimethylbutanoate
PubChem CID18780772
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namepropan-2-yl 2-amino-2,3-dimethylbutanoate
SMILESCC(C)OC(=O)C(C)(N)C(C)C
InChIInChI=1S/C9H19NO2/c1-6(2)9(5,10)8(11)12-7(3)4/h6-7H,10H2,1-5H3
InChIKeyYVTFVJMEJBVARL-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 173451742
(2S)-2-amino-2,3-dimethylbutanamide
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propan-2-yl 2-ethyl-2,3-dimethylbutanoate
CID 87568455
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propan-2-yl 2-acetyl-3-methyl-2-propan-2-ylbutanoate
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propan-2-yl 2-amino-2-methylpropanoate;propan-2-yl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-2,3-dimethylbutanoate?
The IUPAC name of propan-2-yl 2-amino-2,3-dimethylbutanoate (CID 18780772) is propan-2-yl 2-amino-2,3-dimethylbutanoate.
What is the SMILES notation for propan-2-yl 2-amino-2,3-dimethylbutanoate?
The canonical SMILES for propan-2-yl 2-amino-2,3-dimethylbutanoate is CC(C)OC(=O)C(C)(N)C(C)C.
What is the InChIKey of propan-2-yl 2-amino-2,3-dimethylbutanoate?
The InChIKey is YVTFVJMEJBVARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(2)9(5,10)8(11)12-7(3)4/h6-7H,10H2,1-5H3.
What are the key properties of propan-2-yl 2-amino-2,3-dimethylbutanoate?
propan-2-yl 2-amino-2,3-dimethylbutanoate has a molecular weight of 173.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-2,3-dimethylbutanoate is sourced from PubChem (CID 18780772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).