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

C12H21NO4 — CID 126790398

IUPAC1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid
SMILESCCOC(CC)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-3-10(17-4-2)11(14)13-7-5-6-9(8-13)12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyNUZHGKDVRDZOOK-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.12
Rot. Bonds5

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

1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid (PubChem CID 126790398) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid
PubChem CID126790398
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid
SMILESCCOC(CC)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-3-10(17-4-2)11(14)13-7-5-6-9(8-13)12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyNUZHGKDVRDZOOK-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid
CID 120512637
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167924
(2R)-2-ethoxy-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 94666535
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
(3S)-1-[2-(aminomethyl)pentanoyl]piperidine-3-carboxylic acid
CID 81126128
(3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid
CID 124689519
(3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid
CID 81119636

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid (CID 126790398) is 1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid is CCOC(CC)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid?
The InChIKey is NUZHGKDVRDZOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-10(17-4-2)11(14)13-7-5-6-9(8-13)12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid?
1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 126790398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).