(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid

C11H14N2O4 — CID 51673765

IUPAC(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1noc(C)c1CN1C[C@@H](C(=O)O)CC1=O
InChIInChI=1S/C11H14N2O4/c1-6-9(7(2)17-12-6)5-13-4-8(11(15)16)3-10(13)14/h8H,3-5H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyMECHYSVNJGWSSZ-QMMMGPOBSA-N
MW238.24 g/mol
LogP0.72
Rot. Bonds3

About (3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid

(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 51673765) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID51673765
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1noc(C)c1CN1C[C@@H](C(=O)O)CC1=O
InChIInChI=1S/C11H14N2O4/c1-6-9(7(2)17-12-6)5-13-4-8(11(15)16)3-10(13)14/h8H,3-5H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyMECHYSVNJGWSSZ-QMMMGPOBSA-N
XLogP0.72
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid (CID 51673765) is (3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid is Cc1noc(C)c1CN1C[C@@H](C(=O)O)CC1=O.
What is the InChIKey of (3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is MECHYSVNJGWSSZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6-9(7(2)17-12-6)5-13-4-8(11(15)16)3-10(13)14/h8H,3-5H2,1-2H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 51673765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).