methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate

C11H21NO4 — CID 54046049

IUPACmethyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate
SMILESCOC(=O)[C@@H](C)NCCC(C)(C)C(=O)OC
InChIInChI=1S/C11H21NO4/c1-8(9(13)15-4)12-7-6-11(2,3)10(14)16-5/h8,12H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyLPQWRQVNVRVLAA-MRVPVSSYSA-N
MW231.29 g/mol
LogP0.73
Rot. Bonds6

About methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate

methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate (PubChem CID 54046049) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate.

Molecular Properties

Compound Namemethyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate
PubChem CID54046049
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate
SMILESCOC(=O)[C@@H](C)NCCC(C)(C)C(=O)OC
InChIInChI=1S/C11H21NO4/c1-8(9(13)15-4)12-7-6-11(2,3)10(14)16-5/h8,12H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyLPQWRQVNVRVLAA-MRVPVSSYSA-N
XLogP0.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate with MolForge

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Related Compounds

methyl (2S)-2-(3,3-dimethylbutylamino)propanoate
CID 54129426
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CID 63226175
methyl 2-(octylamino)propanoate
CID 60780709
methyl 2-(tetradecylamino)propanoate
CID 174995791
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate
CID 22737584
methyl 2-(3-trimethoxysilylpropylamino)propanoate
CID 90838923
methyl 2,2-dimethyl-5-propan-2-yloxypentanoate
CID 59323556
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501
methyl 2-(3-ethylsulfonylpropylamino)propanoate
CID 65092726
methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate
CID 143114753
methyl 5-methoxy-2,2-dimethylpentanoate
CID 89066099

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate?
The IUPAC name of methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate (CID 54046049) is methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate.
What is the SMILES notation for methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate?
The canonical SMILES for methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate is COC(=O)[C@@H](C)NCCC(C)(C)C(=O)OC.
What is the InChIKey of methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate?
The InChIKey is LPQWRQVNVRVLAA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(9(13)15-4)12-7-6-11(2,3)10(14)16-5/h8,12H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate?
methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate has a molecular weight of 231.29 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate is sourced from PubChem (CID 54046049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).