(5R)-5-methylpyrrolidine-3-carboxylic acid

C6H11NO2 — CID 22844907

IUPAC(5R)-5-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@H]1CC(C(=O)O)CN1
InChIInChI=1S/C6H11NO2/c1-4-2-5(3-7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5?/m1/s1
InChIKeyNJLZXBZFWMPWSO-CNZKWPKMSA-N
MW129.16 g/mol
LogP0.07
Rot. Bonds1

About (5R)-5-methylpyrrolidine-3-carboxylic acid

(5R)-5-methylpyrrolidine-3-carboxylic acid (PubChem CID 22844907) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (5R)-5-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(5R)-5-methylpyrrolidine-3-carboxylic acid
PubChem CID22844907
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(5R)-5-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@H]1CC(C(=O)O)CN1
InChIInChI=1S/C6H11NO2/c1-4-2-5(3-7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5?/m1/s1
InChIKeyNJLZXBZFWMPWSO-CNZKWPKMSA-N
XLogP0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Pyrrolidinecarboxylic acid
CID 3034645
(3R)-3-Pyrrolidinecarboxylic acid
CID 1501970
2-[(2R)-pyrrolidin-2-yl]propanoic acid
CID 118727492
rac-(3R,4R)-4-methylpyrrolidine-3-carboxylic acid
CID 1512685
rac-(3R,4R)-4-(propan-2-yl)pyrrolidine-3-carboxylic acid
CID 2762215
2-(5-Oxopyrrolidin-2-yl)propanoic acid
CID 53961578
2-methyl-2-[(2R)-pyrrolidin-2-yl]propanoic acid
CID 96849169
2-[(2R)-pyrrolidin-2-yl]butanoic acid
CID 118727493
2-Ethylpyrrolidine-3-carboxylic acid hydrochloride
CID 119031450
5-(Trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 145913529
5,5-Dimethylpyrrolidine-3-carboxylic acid hydrochloride
CID 146082984
Rel-methyl (3R,5R)-5-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 129375720

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (5R)-5-methylpyrrolidine-3-carboxylic acid (CID 22844907) is (5R)-5-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (5R)-5-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (5R)-5-methylpyrrolidine-3-carboxylic acid is C[C@@H]1CC(C(=O)O)CN1.
What is the InChIKey of (5R)-5-methylpyrrolidine-3-carboxylic acid?
The InChIKey is NJLZXBZFWMPWSO-CNZKWPKMSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-2-5(3-7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5?/m1/s1.
What are the key properties of (5R)-5-methylpyrrolidine-3-carboxylic acid?
(5R)-5-methylpyrrolidine-3-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 22844907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).