[4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate

C15H19N3O5 — CID 121482127

IUPAC[4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate
SMILESCNCC(=O)N1CC(NC(=O)c2ccccc2)CC1OC(=O)O
InChIInChI=1S/C15H19N3O5/c1-16-8-12(19)18-9-11(7-13(18)23-15(21)22)17-14(20)10-5-3-2-4-6-10/h2-6,11,13,16H,7-9H2,1H3,(H,17,20)(H,21,22)
InChIKeyIIVUFYBAJIRRHV-UHFFFAOYSA-N
MW321.33 g/mol
LogP0.26
Rot. Bonds5

About [4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate

[4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate (PubChem CID 121482127) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is [4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate
PubChem CID121482127
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name[4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate
SMILESCNCC(=O)N1CC(NC(=O)c2ccccc2)CC1OC(=O)O
InChIInChI=1S/C15H19N3O5/c1-16-8-12(19)18-9-11(7-13(18)23-15(21)22)17-14(20)10-5-3-2-4-6-10/h2-6,11,13,16H,7-9H2,1H3,(H,17,20)(H,21,22)
InChIKeyIIVUFYBAJIRRHV-UHFFFAOYSA-N
XLogP0.26
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate?
The IUPAC name of [4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate (CID 121482127) is [4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate.
What is the SMILES notation for [4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate?
The canonical SMILES for [4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate is CNCC(=O)N1CC(NC(=O)c2ccccc2)CC1OC(=O)O.
What is the InChIKey of [4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate?
The InChIKey is IIVUFYBAJIRRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-16-8-12(19)18-9-11(7-13(18)23-15(21)22)17-14(20)10-5-3-2-4-6-10/h2-6,11,13,16H,7-9H2,1H3,(H,17,20)(H,21,22).
What are the key properties of [4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate?
[4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate has a molecular weight of 321.33 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate is sourced from PubChem (CID 121482127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).