1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid

C11H18N2O4 — CID 43355771

IUPAC1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid
SMILESCC(=O)NC(C)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H18N2O4/c1-7(12-8(2)14)10(15)13-5-3-4-9(6-13)11(16)17/h7,9H,3-6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyNNJKLJOCALFMMW-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.17
Rot. Bonds3

About 1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid

1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid (PubChem CID 43355771) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid
PubChem CID43355771
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid
SMILESCC(=O)NC(C)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H18N2O4/c1-7(12-8(2)14)10(15)13-5-3-4-9(6-13)11(16)17/h7,9H,3-6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyNNJKLJOCALFMMW-UHFFFAOYSA-N
XLogP-0.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118974
1-[2-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 119167781
(3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118861
1-[2-(cyclopentanecarbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119355100
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
(3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 81118766
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
1-acetylpiperidine-3-carboxylic acid
CID 14043896
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
1-(2,4-dimethylpent-4-enoyl)piperidine-3-carboxylic acid
CID 120684312
(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120052

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid (CID 43355771) is 1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid is CC(=O)NC(C)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid?
The InChIKey is NNJKLJOCALFMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(12-8(2)14)10(15)13-5-3-4-9(6-13)11(16)17/h7,9H,3-6H2,1-2H3,(H,12,14)(H,16,17).
What are the key properties of 1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid?
1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43355771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).