4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid

C13H24N2O3 — CID 43329817

IUPAC4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid
SMILESCC1CCCC(C)N1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-10-6-4-7-11(2)15(10)13(18)14(3)9-5-8-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyCCWJHHQLZVPMPG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.17
Rot. Bonds4

About 4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid

4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid (PubChem CID 43329817) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid
PubChem CID43329817
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid
SMILESCC1CCCC(C)N1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-10-6-4-7-11(2)15(10)13(18)14(3)9-5-8-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyCCWJHHQLZVPMPG-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid
CID 83220649
4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid
CID 107175150
4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid
CID 81456744
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 28972400
2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61189877
4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 64823823
4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid
CID 43373246
4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid
CID 119172655
4-[methyl-(1-propan-2-ylazepan-4-yl)amino]butanoic acid
CID 65076652
4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855520
4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid
CID 65058593
4-[1-cyclopentylethyl(methyl)amino]butanoic acid
CID 65068332

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid (CID 43329817) is 4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid is CC1CCCC(C)N1C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid?
The InChIKey is CCWJHHQLZVPMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10-6-4-7-11(2)15(10)13(18)14(3)9-5-8-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid?
4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 43329817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).