(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid

C13H24N2O3 — CID 81119937

IUPAC(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
SMILESCC(C)NCCCC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-10(2)14-7-3-6-12(16)15-8-4-5-11(9-15)13(17)18/h10-11,14H,3-9H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyXCLPEQVKJGQTML-LLVKDONJSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds6

About (3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid

(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid (PubChem CID 81119937) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
PubChem CID81119937
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
SMILESCC(C)NCCCC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-10(2)14-7-3-6-12(16)15-8-4-5-11(9-15)13(17)18/h10-11,14H,3-9H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyXCLPEQVKJGQTML-LLVKDONJSA-N
XLogP1.09
TPSA69.64 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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755
1-(4-carboxybutanoyl)piperidine-3-carboxylic acid
CID 54794401
1-(3,4-dimethylpiperazin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 63633329
(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 81125297
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
1-(5-methoxypentanoyl)piperidine-3-carboxylic acid
CID 119167281
1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid
CID 119167835
1-(3-tert-butylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 113417353
2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid
CID 106743021
(3S)-1-(2-propan-2-ylsulfanylacetyl)piperidine-3-carboxylic acid
CID 81126040
1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60852155

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid (CID 81119937) is (3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid is CC(C)NCCCC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid?
The InChIKey is XCLPEQVKJGQTML-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)14-7-3-6-12(16)15-8-4-5-11(9-15)13(17)18/h10-11,14H,3-9H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid?
(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81119937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).