[(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid

C15H22N4O3 — CID 90279583

IUPAC[(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid
SMILESC[C@H]1CN(c2c(N)cnc3c2CCC3)C[C@@H](NC(=O)O)[C@H]1O
InChIInChI=1S/C15H22N4O3/c1-8-6-19(7-12(14(8)20)18-15(21)22)13-9-3-2-4-11(9)17-5-10(13)16/h5,8,12,14,18,20H,2-4,6-7,16H2,1H3,(H,21,22)/t8-,12+,14-/m0/s1
InChIKeyLLJQCYFZOJAUGU-PELMWDNLSA-N
MW306.37 g/mol
LogP0.61
Rot. Bonds2

About [(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid

[(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid (PubChem CID 90279583) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is [(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid
PubChem CID90279583
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name[(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid
SMILESC[C@H]1CN(c2c(N)cnc3c2CCC3)C[C@@H](NC(=O)O)[C@H]1O
InChIInChI=1S/C15H22N4O3/c1-8-6-19(7-12(14(8)20)18-15(21)22)13-9-3-2-4-11(9)17-5-10(13)16/h5,8,12,14,18,20H,2-4,6-7,16H2,1H3,(H,21,22)/t8-,12+,14-/m0/s1
InChIKeyLLJQCYFZOJAUGU-PELMWDNLSA-N
XLogP0.61
TPSA111.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid?
The IUPAC name of [(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid (CID 90279583) is [(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid is C[C@H]1CN(c2c(N)cnc3c2CCC3)C[C@@H](NC(=O)O)[C@H]1O.
What is the InChIKey of [(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid?
The InChIKey is LLJQCYFZOJAUGU-PELMWDNLSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-8-6-19(7-12(14(8)20)18-15(21)22)13-9-3-2-4-11(9)17-5-10(13)16/h5,8,12,14,18,20H,2-4,6-7,16H2,1H3,(H,21,22)/t8-,12+,14-/m0/s1.
What are the key properties of [(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid?
[(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid has a molecular weight of 306.37 g/mol, XLogP of 0.61, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid is sourced from PubChem (CID 90279583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).