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

C13H17N3O3 — CID 113399435

IUPAC3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid
SMILESNc1c(C(=O)O)ccnc1N1CC2CCC(O)C2C1
InChIInChI=1S/C13H17N3O3/c14-11-8(13(18)19)3-4-15-12(11)16-5-7-1-2-10(17)9(7)6-16/h3-4,7,9-10,17H,1-2,5-6,14H2,(H,18,19)
InChIKeyKUCBDUYOQARROV-UHFFFAOYSA-N
MW263.30 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)pyridine-4-carboxylic acid

3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid (PubChem CID 113399435) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid
PubChem CID113399435
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid
SMILESNc1c(C(=O)O)ccnc1N1CC2CCC(O)C2C1
InChIInChI=1S/C13H17N3O3/c14-11-8(13(18)19)3-4-15-12(11)16-5-7-1-2-10(17)9(7)6-16/h3-4,7,9-10,17H,1-2,5-6,14H2,(H,18,19)
InChIKeyKUCBDUYOQARROV-UHFFFAOYSA-N
XLogP0.57
TPSA99.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 79181195
2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399126
3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid
CID 79170719
3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 103197754
2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114056364
2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 104540689
2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103001686
3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide
CID 113399437
3-amino-2-(2-propylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 83061885
2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 102768954
2-(3-amino-4-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103383978
5-chloro-4-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136979809

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)pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid (CID 113399435) is 3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid is Nc1c(C(=O)O)ccnc1N1CC2CCC(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)pyridine-4-carboxylic acid?
The InChIKey is KUCBDUYOQARROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-11-8(13(18)19)3-4-15-12(11)16-5-7-1-2-10(17)9(7)6-16/h3-4,7,9-10,17H,1-2,5-6,14H2,(H,18,19).
What are the key properties of 3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid?
3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 5 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)pyridine-4-carboxylic acid is sourced from PubChem (CID 113399435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).