2-(cyanomethyl)pyrrolidine-1-carboxylic acid

C7H10N2O2 — CID 22500499

IUPAC2-(cyanomethyl)pyrrolidine-1-carboxylic acid
SMILESN#CCC1CCCN1C(=O)O
InChIInChI=1S/C7H10N2O2/c8-4-3-6-2-1-5-9(6)7(10)11/h6H,1-3,5H2,(H,10,11)
InChIKeyLZFCWUIBQUUFIL-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.04
Rot. Bonds1

About 2-(cyanomethyl)pyrrolidine-1-carboxylic acid

2-(cyanomethyl)pyrrolidine-1-carboxylic acid (PubChem CID 22500499) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(cyanomethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyanomethyl)pyrrolidine-1-carboxylic acid
PubChem CID22500499
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(cyanomethyl)pyrrolidine-1-carboxylic acid
SMILESN#CCC1CCCN1C(=O)O
InChIInChI=1S/C7H10N2O2/c8-4-3-6-2-1-5-9(6)7(10)11/h6H,1-3,5H2,(H,10,11)
InChIKeyLZFCWUIBQUUFIL-UHFFFAOYSA-N
XLogP1.04
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(cyanomethyl)piperidine-1-carboxylic acid
CID 175271625
2-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 87391824
(2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid
CID 175456128
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropanenitrile
CID 61409516
4-(cyanomethyl)azepane-1-carboxylic acid
CID 67156015
(2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane
CID 175444438
2-(2-chloroethyl)piperidine-1-carboxylic acid
CID 53441587
2-[2-(cyanomethyl)pyrrolidin-1-yl]benzoic acid
CID 174846832
(2S)-2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
CID 126573244
2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid
CID 126509861
4-(4-bromophenyl)-2-(cyanomethyl)piperazine-1-carboxylic acid
CID 175486224

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(cyanomethyl)pyrrolidine-1-carboxylic acid (CID 22500499) is 2-(cyanomethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(cyanomethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(cyanomethyl)pyrrolidine-1-carboxylic acid is N#CCC1CCCN1C(=O)O.
What is the InChIKey of 2-(cyanomethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is LZFCWUIBQUUFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c8-4-3-6-2-1-5-9(6)7(10)11/h6H,1-3,5H2,(H,10,11).
What are the key properties of 2-(cyanomethyl)pyrrolidine-1-carboxylic acid?
2-(cyanomethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 154.17 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 22500499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).