3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid

C10H16N2O2 — CID 164653373

IUPAC3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid
SMILESCC(CN1CCC(C)(C#N)C1)C(=O)O
InChIInChI=1S/C10H16N2O2/c1-8(9(13)14)5-12-4-3-10(2,6-11)7-12/h8H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyILVHBWANLXVVIT-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.94
Rot. Bonds3

About 3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid

3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid (PubChem CID 164653373) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid
PubChem CID164653373
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid
SMILESCC(CN1CCC(C)(C#N)C1)C(=O)O
InChIInChI=1S/C10H16N2O2/c1-8(9(13)14)5-12-4-3-10(2,6-11)7-12/h8H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyILVHBWANLXVVIT-UHFFFAOYSA-N
XLogP0.94
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid
CID 164653376
2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
CID 106318937
3-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropanoic acid
CID 107405121
3-methyl-1-pentylpyrrolidine-3-carbonitrile
CID 142123327
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 113363017
2-(3-cyano-3-methylpiperidin-1-yl)acetamide
CID 130666840
(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid
CID 51704160
3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile
CID 131945394
1-(4-hydroxybutyl)-4-methylpiperidine-4-carbonitrile
CID 103994156
3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid
CID 107324385
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid (CID 164653373) is 3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid is CC(CN1CCC(C)(C#N)C1)C(=O)O.
What is the InChIKey of 3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid?
The InChIKey is ILVHBWANLXVVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(9(13)14)5-12-4-3-10(2,6-11)7-12/h8H,3-5,7H2,1-2H3,(H,13,14).
What are the key properties of 3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid?
3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid has a molecular weight of 196.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 164653373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).