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

C11H20N2O3 — CID 83042057

IUPAC2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid
SMILESCCCC(NC1CCC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-4-9(11(15)16)12-8-5-6-10(14)13(2)7-8/h8-9,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyHLVWLUDIVWVIKD-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds5

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

2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid (PubChem CID 83042057) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid
PubChem CID83042057
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid
SMILESCCCC(NC1CCC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-4-9(11(15)16)12-8-5-6-10(14)13(2)7-8/h8-9,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyHLVWLUDIVWVIKD-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid
CID 103252992
2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
CID 64667991
1-methyl-5-(pentan-2-ylamino)piperidin-2-one
CID 64654876
3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
CID 103253002
1-methyl-5-(propan-2-ylamino)piperidin-2-one
CID 64655115
3-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64667203
4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 64670249
2-methyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 64669836
3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 64668842
2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid
CID 65055653
2,3-dimethyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 103498588
1-methyl-5-(propylamino)piperidin-2-one
CID 64655123

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid?
The IUPAC name of 2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid (CID 83042057) is 2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid is CCCC(NC1CCC(=O)N(C)C1)C(=O)O.
What is the InChIKey of 2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid?
The InChIKey is HLVWLUDIVWVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-4-9(11(15)16)12-8-5-6-10(14)13(2)7-8/h8-9,12H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid?
2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 5 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]pentanoic acid is sourced from PubChem (CID 83042057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).