1-(2-amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid

C14H26N2O4 — CID 63125541

IUPAC1-(2-amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C(N)CCOC)CC1
InChIInChI=1S/C14H26N2O4/c1-3-5-14(13(18)19)6-8-16(9-7-14)12(17)11(15)4-10-20-2/h11H,3-10,15H2,1-2H3,(H,18,19)
InChIKeyMRUZBSPGKNVJKJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.84
Rot. Bonds7

About 1-(2-amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid

1-(2-amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63125541) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(2-amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63125541
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-(2-amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C(N)CCOC)CC1
InChIInChI=1S/C14H26N2O4/c1-3-5-14(13(18)19)6-8-16(9-7-14)12(17)11(15)4-10-20-2/h11H,3-10,15H2,1-2H3,(H,18,19)
InChIKeyMRUZBSPGKNVJKJ-UHFFFAOYSA-N
XLogP0.84
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid (CID 63125541) is 1-(2-amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)C(N)CCOC)CC1.
What is the InChIKey of 1-(2-amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is MRUZBSPGKNVJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-5-14(13(18)19)6-8-16(9-7-14)12(17)11(15)4-10-20-2/h11H,3-10,15H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid?
1-(2-amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).