(2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C10H14N4O4 — CID 78922501

IUPAC(2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1noc(CNC(=O)N2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C10H14N4O4/c1-6-12-8(18-13-6)5-11-10(17)14-4-2-3-7(14)9(15)16/h7H,2-5H2,1H3,(H,11,17)(H,15,16)/t7-/m1/s1
InChIKeyMCIVBLOEEPXNHF-SSDOTTSWSA-N
MW254.25 g/mol
LogP0.14
Rot. Bonds3

About (2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922501) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is (2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78922501
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name(2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1noc(CNC(=O)N2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C10H14N4O4/c1-6-12-8(18-13-6)5-11-10(17)14-4-2-3-7(14)9(15)16/h7H,2-5H2,1H3,(H,11,17)(H,15,16)/t7-/m1/s1
InChIKeyMCIVBLOEEPXNHF-SSDOTTSWSA-N
XLogP0.14
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 113363783
(2R)-1-[[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 139322097
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383131
(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 106374898
(2R)-1-[(5-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922682
(2R)-1-[[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 167189689
(2R)-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923324
4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 110924276
cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092025
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550470
(2R)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922749
(2S)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509945

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 78922501) is (2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is Cc1noc(CNC(=O)N2CCC[C@@H]2C(=O)O)n1.
What is the InChIKey of (2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MCIVBLOEEPXNHF-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-6-12-8(18-13-6)5-11-10(17)14-4-2-3-7(14)9(15)16/h7H,2-5H2,1H3,(H,11,17)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).