4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid

C11H20N2O3 — CID 110837340

IUPAC4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid
SMILESCN1CCCCC1C(=O)NCCCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-13-8-3-2-5-9(13)11(16)12-7-4-6-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyXKBNOMQGVBVAEC-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds5

About 4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid

4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid (PubChem CID 110837340) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid
PubChem CID110837340
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid
SMILESCN1CCCCC1C(=O)NCCCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-13-8-3-2-5-9(13)11(16)12-7-4-6-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyXKBNOMQGVBVAEC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide
CID 143354246
(2S)-1-methyl-N-[3-(1,2,4-triazol-4-yl)propyl]azepane-2-carboxamide
CID 97209651
N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde
CID 142213067
(2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide
CID 124857791
1-methyl-N-(3-phenylsulfanylpropyl)azepane-2-carboxamide
CID 72913227
4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 43355013
(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 139684981
6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 43352987
N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide
CID 130257130
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane
CID 143685494
formic acid;1-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide
CID 154912664
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-methylazepane-2-carboxamide
CID 72885389

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid (CID 110837340) is 4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid is CN1CCCCC1C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid?
The InChIKey is XKBNOMQGVBVAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-13-8-3-2-5-9(13)11(16)12-7-4-6-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid?
4-[(1-methylpiperidine-2-carbonyl)amino]butanoic 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 4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110837340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).