(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate

C11H22N2O2 — CID 58029614

IUPAC(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)OC1CN(C(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-7(2)10(12)11(14)15-9-5-13(6-9)8(3)4/h7-10H,5-6,12H2,1-4H3/t10-/m0/s1
InChIKeyCXSLIPMMLKZOCP-JTQLQIEISA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds4

About (1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate

(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate (PubChem CID 58029614) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Name(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate
PubChem CID58029614
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)OC1CN(C(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-7(2)10(12)11(14)15-9-5-13(6-9)8(3)4/h7-10H,5-6,12H2,1-4H3/t10-/m0/s1
InChIKeyCXSLIPMMLKZOCP-JTQLQIEISA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylcyclobutyl) 2-amino-3-methylbutanoate
CID 175620249
(4-methylcyclohexyl) (2S)-2-amino-3-methylbutanoate
CID 61278229
(1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate
CID 58029632
[4-(methylsulfanylamino)cyclohexyl] 2-amino-3-methylbutanoate
CID 123378430
(1-propan-2-ylazetidin-3-yl) (2S)-1-methylpyrrolidine-2-carboxylate
CID 90195391
1-propan-2-yl-3-propan-2-yloxyazetidine
CID 59470900
methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid
CID 58030070
amino (2R)-2-amino-3-methylbutanoate
CID 135308017
ethyl N-methyl-N-(1-propan-2-ylazetidin-3-yl)carbamate
CID 146427373
(4,4-dimethylcyclohexyl) 2-amino-3-methylpentanoate
CID 114341590
oxetan-3-yl 2-amino-3-methylpentanoate
CID 102606938
(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol
CID 163526675

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate?
The IUPAC name of (1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate (CID 58029614) is (1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate.
What is the SMILES notation for (1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate?
The canonical SMILES for (1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate is CC(C)[C@H](N)C(=O)OC1CN(C(C)C)C1.
What is the InChIKey of (1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate?
The InChIKey is CXSLIPMMLKZOCP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7(2)10(12)11(14)15-9-5-13(6-9)8(3)4/h7-10H,5-6,12H2,1-4H3/t10-/m0/s1.
What are the key properties of (1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate?
(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate has a molecular weight of 214.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate is sourced from PubChem (CID 58029614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).