4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid

C11H20N2O4 — CID 154945106

IUPAC4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid
SMILESCOC(=O)[C@H](C)N1CC(C)N(C(=O)O)C(C)C1
InChIInChI=1S/C11H20N2O4/c1-7-5-12(9(3)10(14)17-4)6-8(2)13(7)11(15)16/h7-9H,5-6H2,1-4H3,(H,15,16)/t7?,8?,9-/m0/s1
InChIKeyNLXBGCNKVNSFGX-HACHORDNSA-N
MW244.29 g/mol
LogP0.62
Rot. Bonds2

About 4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid

4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid (PubChem CID 154945106) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid
PubChem CID154945106
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid
SMILESCOC(=O)[C@H](C)N1CC(C)N(C(=O)O)C(C)C1
InChIInChI=1S/C11H20N2O4/c1-7-5-12(9(3)10(14)17-4)6-8(2)13(7)11(15)16/h7-9H,5-6H2,1-4H3,(H,15,16)/t7?,8?,9-/m0/s1
InChIKeyNLXBGCNKVNSFGX-HACHORDNSA-N
XLogP0.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid with MolForge

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Related Compounds

methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoate
CID 60915542
methyl 2-(3-azabicyclo[3.3.1]nonan-3-yl)propanoate
CID 130479743
methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
CID 62918498
methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate
CID 66196191
methyl 2-[2-(1-aminoethyl)morpholin-4-yl]propanoate
CID 115315582
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880
methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate
CID 60965667
(2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid
CID 175521904
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate
CID 62972695
methyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate
CID 115314462

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid?
The IUPAC name of 4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid (CID 154945106) is 4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid is COC(=O)[C@H](C)N1CC(C)N(C(=O)O)C(C)C1.
What is the InChIKey of 4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid?
The InChIKey is NLXBGCNKVNSFGX-HACHORDNSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7-5-12(9(3)10(14)17-4)6-8(2)13(7)11(15)16/h7-9H,5-6H2,1-4H3,(H,15,16)/t7?,8?,9-/m0/s1.
What are the key properties of 4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid?
4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 154945106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).