2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid

C19H30N4O6 — CID 67366771

IUPAC2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid
SMILESCCC1CC(CC(C)(C)NC(=O)OCc2cc(C(=O)NC)no2)CCN1C(=O)O
InChIInChI=1S/C19H30N4O6/c1-5-13-8-12(6-7-23(13)18(26)27)10-19(2,3)21-17(25)28-11-14-9-15(22-29-14)16(24)20-4/h9,12-13H,5-8,10-11H2,1-4H3,(H,20,24)(H,21,25)(H,26,27)
InChIKeyTZZYJWBUSFVOIY-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.60
Rot. Bonds7

About 2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid

2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid (PubChem CID 67366771) has the molecular formula C19H30N4O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid
PubChem CID67366771
Molecular FormulaC19H30N4O6
Molecular Weight410.47 g/mol
Exact Mass410.22
IUPAC Name2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid
SMILESCCC1CC(CC(C)(C)NC(=O)OCc2cc(C(=O)NC)no2)CCN1C(=O)O
InChIInChI=1S/C19H30N4O6/c1-5-13-8-12(6-7-23(13)18(26)27)10-19(2,3)21-17(25)28-11-14-9-15(22-29-14)16(24)20-4/h9,12-13H,5-8,10-11H2,1-4H3,(H,20,24)(H,21,25)(H,26,27)
InChIKeyTZZYJWBUSFVOIY-UHFFFAOYSA-N
XLogP2.60
TPSA134.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid (CID 67366771) is 2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid is CCC1CC(CC(C)(C)NC(=O)OCc2cc(C(=O)NC)no2)CCN1C(=O)O.
What is the InChIKey of 2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid?
The InChIKey is TZZYJWBUSFVOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O6/c1-5-13-8-12(6-7-23(13)18(26)27)10-19(2,3)21-17(25)28-11-14-9-15(22-29-14)16(24)20-4/h9,12-13H,5-8,10-11H2,1-4H3,(H,20,24)(H,21,25)(H,26,27).
What are the key properties of 2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid?
2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid has a molecular weight of 410.47 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67366771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).