(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide

C17H29N3O3 — CID 129334200

IUPAC(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide
SMILESCOC1(CNC(=O)N2CCC[C@@H]2CN(C(C)=O)C2CC2)CCC1
InChIInChI=1S/C17H29N3O3/c1-13(21)20(14-6-7-14)11-15-5-3-10-19(15)16(22)18-12-17(23-2)8-4-9-17/h14-15H,3-12H2,1-2H3,(H,18,22)/t15-/m1/s1
InChIKeyGURCIGPIQAOQGV-OAHLLOKOSA-N
MW323.44 g/mol
LogP1.74
Rot. Bonds6

About (2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide

(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 129334200) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide
PubChem CID129334200
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide
SMILESCOC1(CNC(=O)N2CCC[C@@H]2CN(C(C)=O)C2CC2)CCC1
InChIInChI=1S/C17H29N3O3/c1-13(21)20(14-6-7-14)11-15-5-3-10-19(15)16(22)18-12-17(23-2)8-4-9-17/h14-15H,3-12H2,1-2H3,(H,18,22)/t15-/m1/s1
InChIKeyGURCIGPIQAOQGV-OAHLLOKOSA-N
XLogP1.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide (CID 129334200) is (2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide is COC1(CNC(=O)N2CCC[C@@H]2CN(C(C)=O)C2CC2)CCC1.
What is the InChIKey of (2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is GURCIGPIQAOQGV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-13(21)20(14-6-7-14)11-15-5-3-10-19(15)16(22)18-12-17(23-2)8-4-9-17/h14-15H,3-12H2,1-2H3,(H,18,22)/t15-/m1/s1.
What are the key properties of (2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide?
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 129334200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).