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

C14H21N3O4 — CID 83063069

IUPAC2-ethyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CCC(=O)Nc1cc(C)on1
InChIInChI=1S/C14H21N3O4/c1-3-14(13(19)20)6-4-7-17(14)8-5-12(18)15-11-9-10(2)21-16-11/h9H,3-8H2,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyBFWUEMOVKQEHSI-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.64
Rot. Bonds6

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

2-ethyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid (PubChem CID 83063069) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-ethyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid
PubChem CID83063069
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-ethyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CCC(=O)Nc1cc(C)on1
InChIInChI=1S/C14H21N3O4/c1-3-14(13(19)20)6-4-7-17(14)8-5-12(18)15-11-9-10(2)21-16-11/h9H,3-8H2,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyBFWUEMOVKQEHSI-UHFFFAOYSA-N
XLogP1.64
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 83080451
N-(5-methyl-1,2-oxazol-3-yl)-3-(tetrazol-1-yl)propanamide
CID 5301293
3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47117374
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2R)-2-methylpiperidin-1-yl]propanamide
CID 39912480
4-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 63124886
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 707006
2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79612210
3-[(3R)-3-aminopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 102977266
2-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110249123
3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119927941
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 95569827
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792894

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid (CID 83063069) is 2-ethyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1CCC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-ethyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BFWUEMOVKQEHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-14(13(19)20)6-4-7-17(14)8-5-12(18)15-11-9-10(2)21-16-11/h9H,3-8H2,1-2H3,(H,19,20)(H,15,16,18).
What are the key properties of 2-ethyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83063069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).