2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid

C12H24N2O4 — CID 126643714

IUPAC2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid
SMILESCCN(CC)CCC1CCCN1C(=O)O.O=CO
InChIInChI=1S/C11H22N2O2.CH2O2/c1-3-12(4-2)9-7-10-6-5-8-13(10)11(14)15;2-1-3/h10H,3-9H2,1-2H3,(H,14,15);1H,(H,2,3)
InChIKeyVLCVFWZXIKKKDC-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.56
Rot. Bonds5

About 2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid

2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid (PubChem CID 126643714) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid
PubChem CID126643714
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid
SMILESCCN(CC)CCC1CCCN1C(=O)O.O=CO
InChIInChI=1S/C11H22N2O2.CH2O2/c1-3-12(4-2)9-7-10-6-5-8-13(10)11(14)15;2-1-3/h10H,3-9H2,1-2H3,(H,14,15);1H,(H,2,3)
InChIKeyVLCVFWZXIKKKDC-UHFFFAOYSA-N
XLogP1.56
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
CID 126573244
2-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 87391824
2-nonylpiperidine-1-carboxylic acid
CID 69469776
(2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid
CID 54001407
2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid
CID 87391725
2-(2-chloroethyl)piperidine-1-carboxylic acid
CID 53441587
(2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid
CID 175456128
tert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 123504782
1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one
CID 79546576
2-(3-chloropropyl)piperidine-1-carboxylic acid
CID 68868477
(2S)-2-(3-bromo-2-oxopropyl)piperidine-1-carboxylic acid
CID 87470345
(2S)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78967793

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid?
The IUPAC name of 2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid (CID 126643714) is 2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid?
The canonical SMILES for 2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid is CCN(CC)CCC1CCCN1C(=O)O.O=CO.
What is the InChIKey of 2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid?
The InChIKey is VLCVFWZXIKKKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.CH2O2/c1-3-12(4-2)9-7-10-6-5-8-13(10)11(14)15;2-1-3/h10H,3-9H2,1-2H3,(H,14,15);1H,(H,2,3).
What are the key properties of 2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid?
2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid has a molecular weight of 260.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid;formic acid is sourced from PubChem (CID 126643714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).