(3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid

C10H13N3O5 — CID 95130551

IUPAC(3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1nonc1OCCN1C[C@@H](C(=O)O)CC1=O
InChIInChI=1S/C10H13N3O5/c1-6-9(12-18-11-6)17-3-2-13-5-7(10(15)16)4-8(13)14/h7H,2-5H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyPNIPNTCGSWFFDL-ZETCQYMHSA-N
MW255.23 g/mol
LogP-0.31
Rot. Bonds5

About (3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid

(3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 95130551) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is (3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID95130551
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name(3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1nonc1OCCN1C[C@@H](C(=O)O)CC1=O
InChIInChI=1S/C10H13N3O5/c1-6-9(12-18-11-6)17-3-2-13-5-7(10(15)16)4-8(13)14/h7H,2-5H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyPNIPNTCGSWFFDL-ZETCQYMHSA-N
XLogP-0.31
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97155545
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192523
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
1-(3-hydroxy-4-methoxybutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 106244819
1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid
CID 113463677
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690461
5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid
CID 50981461
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 63983679

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid (CID 95130551) is (3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid is Cc1nonc1OCCN1C[C@@H](C(=O)O)CC1=O.
What is the InChIKey of (3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is PNIPNTCGSWFFDL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-6-9(12-18-11-6)17-3-2-13-5-7(10(15)16)4-8(13)14/h7H,2-5H2,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of (3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid?
(3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 95130551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).