1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate

C10H21NO3 — CID 103927421

IUPAC1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate
SMILESCOCC(C)OC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C10H21NO3/c1-7(6-13-5)14-9(12)8(11)10(2,3)4/h7-8H,6,11H2,1-5H3/t7?,8-/m0/s1
InChIKeyQMFJRJJHNBUBJP-MQWKRIRWSA-N
MW203.28 g/mol
LogP0.94
Rot. Bonds4

About 1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate

1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate (PubChem CID 103927421) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate.

Molecular Properties

Compound Name1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate
PubChem CID103927421
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate
SMILESCOCC(C)OC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C10H21NO3/c1-7(6-13-5)14-9(12)8(11)10(2,3)4/h7-8H,6,11H2,1-5H3/t7?,8-/m0/s1
InChIKeyQMFJRJJHNBUBJP-MQWKRIRWSA-N
XLogP0.94
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate?
The IUPAC name of 1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate (CID 103927421) is 1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate.
What is the SMILES notation for 1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate?
The canonical SMILES for 1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate is COCC(C)OC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of 1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate?
The InChIKey is QMFJRJJHNBUBJP-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H21NO3/c1-7(6-13-5)14-9(12)8(11)10(2,3)4/h7-8H,6,11H2,1-5H3/t7?,8-/m0/s1.
What are the key properties of 1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate?
1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate has a molecular weight of 203.28 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate is sourced from PubChem (CID 103927421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).