(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid

C14H20N2O4 — CID 124684647

IUPAC(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCCc1noc(CC)c1CC(=O)N1CC[C@H](C(=O)O)C1
InChIInChI=1S/C14H20N2O4/c1-3-11-10(12(4-2)20-15-11)7-13(17)16-6-5-9(8-16)14(18)19/h9H,3-8H2,1-2H3,(H,18,19)/t9-/m0/s1
InChIKeyMHQXCOAPTAXHPV-VIFPVBQESA-N
MW280.32 g/mol
LogP1.27
Rot. Bonds5

About (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid

(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 124684647) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID124684647
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCCc1noc(CC)c1CC(=O)N1CC[C@H](C(=O)O)C1
InChIInChI=1S/C14H20N2O4/c1-3-11-10(12(4-2)20-15-11)7-13(17)16-6-5-9(8-16)14(18)19/h9H,3-8H2,1-2H3,(H,18,19)/t9-/m0/s1
InChIKeyMHQXCOAPTAXHPV-VIFPVBQESA-N
XLogP1.27
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 129381236
1-(3-aminopiperidin-1-yl)-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 119378216
2-(3,5-diethyl-1,2-oxazol-4-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119488937
1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 129346840
(3S,4S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120949293
1-[(2S)-2-(aminomethyl)piperidin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 124573415
1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119354480
1-[2-(aminomethyl)piperidin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride
CID 119466989
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 78996821
1-[2-(2,4,6-trimethylphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 120533845
(2R)-2-[4-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-methylbutanenitrile
CID 97051175
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 124684633

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 124684647) is (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid is CCc1noc(CC)c1CC(=O)N1CC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is MHQXCOAPTAXHPV-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-11-10(12(4-2)20-15-11)7-13(17)16-6-5-9(8-16)14(18)19/h9H,3-8H2,1-2H3,(H,18,19)/t9-/m0/s1.
What are the key properties of (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid?
(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124684647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).