(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid

C11H18N2O4 — CID 81125297

IUPAC(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid
SMILESCC(=O)NCCC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H18N2O4/c1-8(14)12-5-4-10(15)13-6-2-3-9(7-13)11(16)17/h9H,2-7H2,1H3,(H,12,14)(H,16,17)/t9-/m0/s1
InChIKeyFBVRIRBQDWWLJC-VIFPVBQESA-N
MW242.27 g/mol
LogP-0.16
Rot. Bonds4

About (3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid

(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid (PubChem CID 81125297) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is (3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid
PubChem CID81125297
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid
SMILESCC(=O)NCCC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H18N2O4/c1-8(14)12-5-4-10(15)13-6-2-3-9(7-13)11(16)17/h9H,2-7H2,1H3,(H,12,14)(H,16,17)/t9-/m0/s1
InChIKeyFBVRIRBQDWWLJC-VIFPVBQESA-N
XLogP-0.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-3-carboxylic acid
CID 43355894
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide
CID 107224919
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 43422465
1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid
CID 115918220
(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
CID 81119937
methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate
CID 78918849
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755
1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid
CID 43183413
1-(2-acetamidoethyl)piperidine-3-carboxylic acid
CID 43385924
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid (CID 81125297) is (3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid is CC(=O)NCCC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid?
The InChIKey is FBVRIRBQDWWLJC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O4/c1-8(14)12-5-4-10(15)13-6-2-3-9(7-13)11(16)17/h9H,2-7H2,1H3,(H,12,14)(H,16,17)/t9-/m0/s1.
What are the key properties of (3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid?
(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81125297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).