3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide

C14H19N3O2 — CID 113399437

IUPAC3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide
SMILESNC(=O)c1cccc(N)c1N1CC2CCC(O)C2C1
InChIInChI=1S/C14H19N3O2/c15-11-3-1-2-9(14(16)19)13(11)17-6-8-4-5-12(18)10(8)7-17/h1-3,8,10,12,18H,4-7,15H2,(H2,16,19)
InChIKeyXXNOPFJXSYRFQK-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.57
Rot. Bonds2

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

3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide (PubChem CID 113399437) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide
PubChem CID113399437
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide
SMILESNC(=O)c1cccc(N)c1N1CC2CCC(O)C2C1
InChIInChI=1S/C14H19N3O2/c15-11-3-1-2-9(14(16)19)13(11)17-6-8-4-5-12(18)10(8)7-17/h1-3,8,10,12,18H,4-7,15H2,(H2,16,19)
InChIKeyXXNOPFJXSYRFQK-UHFFFAOYSA-N
XLogP0.57
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 112577647
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3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide
CID 112579335
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3-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)benzamide
CID 112578514
2-amino-6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzoic acid
CID 104824853
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CID 106673191
3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid
CID 113399435
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2-aminoacetyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide?
The IUPAC name of 3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide (CID 113399437) is 3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide.
What is the SMILES notation for 3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide?
The canonical SMILES for 3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide is NC(=O)c1cccc(N)c1N1CC2CCC(O)C2C1.
What is the InChIKey of 3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide?
The InChIKey is XXNOPFJXSYRFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-11-3-1-2-9(14(16)19)13(11)17-6-8-4-5-12(18)10(8)7-17/h1-3,8,10,12,18H,4-7,15H2,(H2,16,19).
What are the key properties of 3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide?
3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide has a molecular weight of 261.32 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide is sourced from PubChem (CID 113399437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).