(2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid

C7H10N2O2 — CID 11643959

IUPAC(2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid
SMILESN#CC[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C7H10N2O2/c8-2-1-5-3-6(7(10)11)9-4-5/h5-6,9H,1,3-4H2,(H,10,11)/t5-,6+/m1/s1
InChIKeyYFPQAWJWVOEVHN-RITPCOANSA-N
MW154.17 g/mol
LogP-0.04
Rot. Bonds2

About (2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid

(2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid (PubChem CID 11643959) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid
PubChem CID11643959
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid
SMILESN#CC[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C7H10N2O2/c8-2-1-5-3-6(7(10)11)9-4-5/h5-6,9H,1,3-4H2,(H,10,11)/t5-,6+/m1/s1
InChIKeyYFPQAWJWVOEVHN-RITPCOANSA-N
XLogP-0.04
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 88710869
(2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 118274051
(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
CID 5318293
(2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 75176263
(2S,4R)-4-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 11217395
(2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid
CID 69415459
(2R,4S)-4-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 133114737
(2S,4S)-4-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid
CID 10036061
4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid
CID 69349870
4-(2,2-dimethoxyethyl)pyrrolidine-2-carboxylic acid
CID 175574261
(2R,4S)-4-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 133109226
(2S)-4-aminopyrrolidine-2-carboxylic acid
CID 21120376

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid (CID 11643959) is (2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid is N#CC[C@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YFPQAWJWVOEVHN-RITPCOANSA-N. The full InChI is InChI=1S/C7H10N2O2/c8-2-1-5-3-6(7(10)11)9-4-5/h5-6,9H,1,3-4H2,(H,10,11)/t5-,6+/m1/s1.
What are the key properties of (2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 154.17 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11643959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).