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

C11H20N2O3 — CID 28511265

IUPAC4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCC1CCN(C(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-9-4-7-13(8-5-9)11(16)12-6-2-3-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyANIHAUFVVQHRFO-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds4

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

4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 28511265) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID28511265
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCC1CCN(C(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-9-4-7-13(8-5-9)11(16)12-6-2-3-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyANIHAUFVVQHRFO-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid (CID 28511265) is 4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid is CC1CCN(C(=O)NCCCC(=O)O)CC1.
What is the InChIKey of 4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is ANIHAUFVVQHRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9-4-7-13(8-5-9)11(16)12-6-2-3-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid?
4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 28511265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).