1-[2-[methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid

C14H26N2O3 — CID 62659152

IUPAC1-[2-[methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCC(C)CCN(C)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-11(2)4-7-15(3)10-13(17)16-8-5-12(6-9-16)14(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyFNSJBZWOLNDCOP-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.29
Rot. Bonds6

About 1-[2-[methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 62659152) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-[methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID62659152
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[2-[methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCC(C)CCN(C)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-11(2)4-7-15(3)10-13(17)16-8-5-12(6-9-16)14(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyFNSJBZWOLNDCOP-UHFFFAOYSA-N
XLogP1.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid (CID 62659152) is 1-[2-[methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid is CC(C)CCN(C)CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is FNSJBZWOLNDCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(2)4-7-15(3)10-13(17)16-8-5-12(6-9-16)14(18)19/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-[2-[methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 62659152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).