methyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate

C16H24N4O4 — CID 129433240

IUPACmethyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1ncc(NC(=O)N2CCC[C@@H]2[C@H]2CCCO2)c1C
InChIInChI=1S/C16H24N4O4/c1-11-12(9-17-20(11)10-15(21)23-2)18-16(22)19-7-3-5-13(19)14-6-4-8-24-14/h9,13-14H,3-8,10H2,1-2H3,(H,18,22)/t13-,14-/m1/s1
InChIKeyKZBKHOVWVMQKLL-ZIAGYGMSSA-N
MW336.39 g/mol
LogP1.54
Rot. Bonds4

About methyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate

methyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate (PubChem CID 129433240) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate
PubChem CID129433240
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Namemethyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1ncc(NC(=O)N2CCC[C@@H]2[C@H]2CCCO2)c1C
InChIInChI=1S/C16H24N4O4/c1-11-12(9-17-20(11)10-15(21)23-2)18-16(22)19-7-3-5-13(19)14-6-4-8-24-14/h9,13-14H,3-8,10H2,1-2H3,(H,18,22)/t13-,14-/m1/s1
InChIKeyKZBKHOVWVMQKLL-ZIAGYGMSSA-N
XLogP1.54
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate (CID 129433240) is methyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate is COC(=O)Cn1ncc(NC(=O)N2CCC[C@@H]2[C@H]2CCCO2)c1C.
What is the InChIKey of methyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate?
The InChIKey is KZBKHOVWVMQKLL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-11-12(9-17-20(11)10-15(21)23-2)18-16(22)19-7-3-5-13(19)14-6-4-8-24-14/h9,13-14H,3-8,10H2,1-2H3,(H,18,22)/t13-,14-/m1/s1.
What are the key properties of methyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate?
methyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate has a molecular weight of 336.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate is sourced from PubChem (CID 129433240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).