1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide

C16H26N4O3 — CID 23795586

IUPAC1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CC(N(C(=O)C2CC2)C2CC2)CC1C(=O)NCCN
InChIInChI=1S/C16H26N4O3/c1-10(21)19-9-13(8-14(19)15(22)18-7-6-17)20(12-4-5-12)16(23)11-2-3-11/h11-14H,2-9,17H2,1H3,(H,18,22)
InChIKeyWWBSCFPGVFTJKC-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.55
Rot. Bonds6

About 1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide

1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide (PubChem CID 23795586) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide
PubChem CID23795586
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CC(N(C(=O)C2CC2)C2CC2)CC1C(=O)NCCN
InChIInChI=1S/C16H26N4O3/c1-10(21)19-9-13(8-14(19)15(22)18-7-6-17)20(12-4-5-12)16(23)11-2-3-11/h11-14H,2-9,17H2,1H3,(H,18,22)
InChIKeyWWBSCFPGVFTJKC-UHFFFAOYSA-N
XLogP-0.55
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide (CID 23795586) is 1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide is CC(=O)N1CC(N(C(=O)C2CC2)C2CC2)CC1C(=O)NCCN.
What is the InChIKey of 1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide?
The InChIKey is WWBSCFPGVFTJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-10(21)19-9-13(8-14(19)15(22)18-7-6-17)20(12-4-5-12)16(23)11-2-3-11/h11-14H,2-9,17H2,1H3,(H,18,22).
What are the key properties of 1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide?
1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 23795586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).