3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid

C11H20N2O3 — CID 103253002

IUPAC3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
SMILESCC(C)C(NC1CCC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(2)10(11(15)16)12-8-4-5-9(14)13(3)6-8/h7-8,10,12H,4-6H2,1-3H3,(H,15,16)
InChIKeyVBMZACKYTCDYCB-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds4

About 3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid

3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid (PubChem CID 103253002) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
PubChem CID103253002
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
SMILESCC(C)C(NC1CCC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(2)10(11(15)16)12-8-4-5-9(14)13(3)6-8/h7-8,10,12H,4-6H2,1-3H3,(H,15,16)
InChIKeyVBMZACKYTCDYCB-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one
CID 64655130
1-methyl-5-(propan-2-ylamino)piperidin-2-one
CID 64655115
2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
CID 64667991
(2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 104966339
2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid
CID 83042057
2,3-dimethyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 103498588
2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid
CID 103252992
3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid
CID 65224311
1-methyl-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]piperidin-2-one
CID 64655952
1-methyl-5-(pentan-2-ylamino)piperidin-2-one
CID 64654876
(2R)-3,3-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 103928096
2-methyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 64669836

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid (CID 103253002) is 3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid is CC(C)C(NC1CCC(=O)N(C)C1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid?
The InChIKey is VBMZACKYTCDYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(2)10(11(15)16)12-8-4-5-9(14)13(3)6-8/h7-8,10,12H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid?
3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid is sourced from PubChem (CID 103253002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).