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

C10H18N2O3 — CID 64667991

IUPAC2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
SMILESCCC(NC1CCC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-3-8(10(14)15)11-7-4-5-9(13)12(2)6-7/h7-8,11H,3-6H2,1-2H3,(H,14,15)
InChIKeyXBDHAQPGFKFQSQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.06
Rot. Bonds4

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

2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid (PubChem CID 64667991) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
PubChem CID64667991
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
SMILESCCC(NC1CCC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-3-8(10(14)15)11-7-4-5-9(13)12(2)6-7/h7-8,11H,3-6H2,1-2H3,(H,14,15)
InChIKeyXBDHAQPGFKFQSQ-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid?
The IUPAC name of 2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid (CID 64667991) is 2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid?
The canonical SMILES for 2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid is CCC(NC1CCC(=O)N(C)C1)C(=O)O.
What is the InChIKey of 2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid?
The InChIKey is XBDHAQPGFKFQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-8(10(14)15)11-7-4-5-9(13)12(2)6-7/h7-8,11H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid?
2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid is sourced from PubChem (CID 64667991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).