N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide

C15H19N3O2 — CID 166176498

IUPACN-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide
SMILESN[C@@H]1CCN(C(=O)C2(NC(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C15H19N3O2/c16-12-6-9-18(10-12)14(20)15(7-8-15)17-13(19)11-4-2-1-3-5-11/h1-5,12H,6-10,16H2,(H,17,19)/t12-/m1/s1
InChIKeyRPBYGYAMMSVVTQ-GFCCVEGCSA-N
MW273.34 g/mol
LogP0.51
Rot. Bonds3

About N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide

N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide (PubChem CID 166176498) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide.

Molecular Properties

Compound NameN-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide
PubChem CID166176498
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide
SMILESN[C@@H]1CCN(C(=O)C2(NC(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C15H19N3O2/c16-12-6-9-18(10-12)14(20)15(7-8-15)17-13(19)11-4-2-1-3-5-11/h1-5,12H,6-10,16H2,(H,17,19)/t12-/m1/s1
InChIKeyRPBYGYAMMSVVTQ-GFCCVEGCSA-N
XLogP0.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide?
The IUPAC name of N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide (CID 166176498) is N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide.
What is the SMILES notation for N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide?
The canonical SMILES for N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide is N[C@@H]1CCN(C(=O)C2(NC(=O)c3ccccc3)CC2)C1.
What is the InChIKey of N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide?
The InChIKey is RPBYGYAMMSVVTQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-12-6-9-18(10-12)14(20)15(7-8-15)17-13(19)11-4-2-1-3-5-11/h1-5,12H,6-10,16H2,(H,17,19)/t12-/m1/s1.
What are the key properties of N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide?
N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide has a molecular weight of 273.34 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide is sourced from PubChem (CID 166176498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).