2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide

C15H20N4O2 — CID 175993803

IUPAC2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide
SMILESNCC(=O)c1cccc(C(N)=O)c1N1CC2CNCC2C1
InChIInChI=1S/C15H20N4O2/c16-4-13(20)11-2-1-3-12(15(17)21)14(11)19-7-9-5-18-6-10(9)8-19/h1-3,9-10,18H,4-8,16H2,(H2,17,21)
InChIKeySIAZBWGODWUYKN-UHFFFAOYSA-N
MW288.35 g/mol
LogP-0.42
Rot. Bonds4

About 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide

2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide (PubChem CID 175993803) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide.

Molecular Properties

Compound Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide
PubChem CID175993803
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide
SMILESNCC(=O)c1cccc(C(N)=O)c1N1CC2CNCC2C1
InChIInChI=1S/C15H20N4O2/c16-4-13(20)11-2-1-3-12(15(17)21)14(11)19-7-9-5-18-6-10(9)8-19/h1-3,9-10,18H,4-8,16H2,(H2,17,21)
InChIKeySIAZBWGODWUYKN-UHFFFAOYSA-N
XLogP-0.42
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide?
The IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide (CID 175993803) is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide.
What is the SMILES notation for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide?
The canonical SMILES for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide is NCC(=O)c1cccc(C(N)=O)c1N1CC2CNCC2C1.
What is the InChIKey of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide?
The InChIKey is SIAZBWGODWUYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-4-13(20)11-2-1-3-12(15(17)21)14(11)19-7-9-5-18-6-10(9)8-19/h1-3,9-10,18H,4-8,16H2,(H2,17,21).
What are the key properties of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide?
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide has a molecular weight of 288.35 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide is sourced from PubChem (CID 175993803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).