1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid

C13H24N2O3 — CID 63126829

IUPAC1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC(C)C(N)=O)CC1
InChIInChI=1S/C13H24N2O3/c1-3-4-13(12(17)18)5-7-15(8-6-13)9-10(2)11(14)16/h10H,3-9H2,1-2H3,(H2,14,16)(H,17,18)
InChIKeyMRGHZUMDAPAUDF-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.07
Rot. Bonds6

About 1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid

1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63126829) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63126829
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC(C)C(N)=O)CC1
InChIInChI=1S/C13H24N2O3/c1-3-4-13(12(17)18)5-7-15(8-6-13)9-10(2)11(14)16/h10H,3-9H2,1-2H3,(H2,14,16)(H,17,18)
InChIKeyMRGHZUMDAPAUDF-UHFFFAOYSA-N
XLogP1.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanamide
CID 81116171
3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid
CID 107324385
1-(3-amino-2-methyl-3-oxopropyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984514
1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148765
1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid
CID 63126976
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid
CID 63126933
1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 65064765
4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid
CID 63126221
4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 64566328
1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid
CID 104903455

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid (CID 63126829) is 1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(CC(C)C(N)=O)CC1.
What is the InChIKey of 1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is MRGHZUMDAPAUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-4-13(12(17)18)5-7-15(8-6-13)9-10(2)11(14)16/h10H,3-9H2,1-2H3,(H2,14,16)(H,17,18).
What are the key properties of 1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid?
1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).