2-(methoxymethyl)-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid

C17H21N3O3 — CID 167758505

IUPAC2-(methoxymethyl)-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCOCC1(C(=O)O)CCCN1Cc1nc2ccccc2nc1C
InChIInChI=1S/C17H21N3O3/c1-12-15(19-14-7-4-3-6-13(14)18-12)10-20-9-5-8-17(20,11-23-2)16(21)22/h3-4,6-7H,5,8-11H2,1-2H3,(H,21,22)
InChIKeyHGYBTQZGRQNDBZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.00
Rot. Bonds5

About 2-(methoxymethyl)-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid

2-(methoxymethyl)-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 167758505) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID167758505
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(methoxymethyl)-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCOCC1(C(=O)O)CCCN1Cc1nc2ccccc2nc1C
InChIInChI=1S/C17H21N3O3/c1-12-15(19-14-7-4-3-6-13(14)18-12)10-20-9-5-8-17(20,11-23-2)16(21)22/h3-4,6-7H,5,8-11H2,1-2H3,(H,21,22)
InChIKeyHGYBTQZGRQNDBZ-UHFFFAOYSA-N
XLogP2.00
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
1-(1,3-benzothiazol-2-ylmethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83079744
2-(methoxymethyl)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 154746588
2-(methoxymethyl)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 154761342
2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline
CID 70779960
2-ethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83071303
1-[(6-methoxy-2-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979080
1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909636
1-(4-bromo-2-methylbenzoyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 154745102
1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 104819008
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889
[4-[(4-methoxyphenyl)methyl]-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]methanol
CID 26329256

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid (CID 167758505) is 2-(methoxymethyl)-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid is COCC1(C(=O)O)CCCN1Cc1nc2ccccc2nc1C.
What is the InChIKey of 2-(methoxymethyl)-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HGYBTQZGRQNDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-15(19-14-7-4-3-6-13(14)18-12)10-20-9-5-8-17(20,11-23-2)16(21)22/h3-4,6-7H,5,8-11H2,1-2H3,(H,21,22).
What are the key properties of 2-(methoxymethyl)-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
2-(methoxymethyl)-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 167758505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).