N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide

C20H34N4O4 — CID 23735071

IUPACN-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N(CC1CCCO1)C1CC(C(=O)NCCN)N(C(=O)C2CC2)C1
InChIInChI=1S/C20H34N4O4/c1-13(2)19(26)23(12-16-4-3-9-28-16)15-10-17(18(25)22-8-7-21)24(11-15)20(27)14-5-6-14/h13-17H,3-12,21H2,1-2H3,(H,22,25)
InChIKeyNFKNQKFKNJVRDF-UHFFFAOYSA-N
MW394.52 g/mol
LogP0.10
Rot. Bonds8

About N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide

N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide (PubChem CID 23735071) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide
PubChem CID23735071
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC NameN-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N(CC1CCCO1)C1CC(C(=O)NCCN)N(C(=O)C2CC2)C1
InChIInChI=1S/C20H34N4O4/c1-13(2)19(26)23(12-16-4-3-9-28-16)15-10-17(18(25)22-8-7-21)24(11-15)20(27)14-5-6-14/h13-17H,3-12,21H2,1-2H3,(H,22,25)
InChIKeyNFKNQKFKNJVRDF-UHFFFAOYSA-N
XLogP0.10
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide (CID 23735071) is N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide is CC(C)C(=O)N(CC1CCCO1)C1CC(C(=O)NCCN)N(C(=O)C2CC2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide?
The InChIKey is NFKNQKFKNJVRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-13(2)19(26)23(12-16-4-3-9-28-16)15-10-17(18(25)22-8-7-21)24(11-15)20(27)14-5-6-14/h13-17H,3-12,21H2,1-2H3,(H,22,25).
What are the key properties of N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide?
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 23735071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).