methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate

C20H32N4O6 — CID 143889099

IUPACmethyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(NC(=O)C2CCC(C(=O)NC3CNC(C(=O)OC)C3)CC2)CN1
InChIInChI=1S/C20H32N4O6/c1-29-19(27)15-7-13(9-21-15)23-17(25)11-3-5-12(6-4-11)18(26)24-14-8-16(22-10-14)20(28)30-2/h11-16,21-22H,3-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyAIPVWIGPGZYDNW-UHFFFAOYSA-N
MW424.50 g/mol
LogP-1.17
Rot. Bonds6

About methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate

methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate (PubChem CID 143889099) has the molecular formula C20H32N4O6 and a molecular weight of 424.50 g/mol. Its IUPAC name is methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate
PubChem CID143889099
Molecular FormulaC20H32N4O6
Molecular Weight424.50 g/mol
Exact Mass424.23
IUPAC Namemethyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(NC(=O)C2CCC(C(=O)NC3CNC(C(=O)OC)C3)CC2)CN1
InChIInChI=1S/C20H32N4O6/c1-29-19(27)15-7-13(9-21-15)23-17(25)11-3-5-12(6-4-11)18(26)24-14-8-16(22-10-14)20(28)30-2/h11-16,21-22H,3-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyAIPVWIGPGZYDNW-UHFFFAOYSA-N
XLogP-1.17
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate (CID 143889099) is methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate is COC(=O)C1CC(NC(=O)C2CCC(C(=O)NC3CNC(C(=O)OC)C3)CC2)CN1.
What is the InChIKey of methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate?
The InChIKey is AIPVWIGPGZYDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O6/c1-29-19(27)15-7-13(9-21-15)23-17(25)11-3-5-12(6-4-11)18(26)24-14-8-16(22-10-14)20(28)30-2/h11-16,21-22H,3-10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate?
methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate has a molecular weight of 424.50 g/mol, XLogP of -1.17, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate is sourced from PubChem (CID 143889099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).