1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid

C12H18N2O3 — CID 119909283

IUPAC1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCCc1noc(C)c1CN1CCCC1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-3-10-9(8(2)17-13-10)7-14-6-4-5-11(14)12(15)16/h11H,3-7H2,1-2H3,(H,15,16)
InChIKeyZFNXPZUFRFETTC-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.59
Rot. Bonds4

About 1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid

1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 119909283) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID119909283
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCCc1noc(C)c1CN1CCCC1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-3-10-9(8(2)17-13-10)7-14-6-4-5-11(14)12(15)16/h11H,3-7H2,1-2H3,(H,15,16)
InChIKeyZFNXPZUFRFETTC-UHFFFAOYSA-N
XLogP1.59
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 94038570
(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 28844021
1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056029
1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122015374
3-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]propanoic acid
CID 42576536
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 61495787
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176273
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441669
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
CID 66737893
CID 66737893
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 61495823
(2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 94665811

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid (CID 119909283) is 1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid is CCc1noc(C)c1CN1CCCC1C(=O)O.
What is the InChIKey of 1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZFNXPZUFRFETTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-10-9(8(2)17-13-10)7-14-6-4-5-11(14)12(15)16/h11H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119909283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).