4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid

C13H18N4O3 — CID 146349530

IUPAC4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid
SMILESN[C@H]1COc2nc(N3CCN(C(=O)O)CC3)ccc2C1
InChIInChI=1S/C13H18N4O3/c14-10-7-9-1-2-11(15-12(9)20-8-10)16-3-5-17(6-4-16)13(18)19/h1-2,10H,3-8,14H2,(H,18,19)/t10-/m1/s1
InChIKeyOSUBUFRLRUCNDC-SNVBAGLBSA-N
MW278.31 g/mol
LogP0.14
Rot. Bonds1

About 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid

4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid (PubChem CID 146349530) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid
PubChem CID146349530
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid
SMILESN[C@H]1COc2nc(N3CCN(C(=O)O)CC3)ccc2C1
InChIInChI=1S/C13H18N4O3/c14-10-7-9-1-2-11(15-12(9)20-8-10)16-3-5-17(6-4-16)13(18)19/h1-2,10H,3-8,14H2,(H,18,19)/t10-/m1/s1
InChIKeyOSUBUFRLRUCNDC-SNVBAGLBSA-N
XLogP0.14
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[(3S)-3-amino-5-fluoro-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylic acid
CID 137480637
4-(5-amino-6-chloroquinolin-2-yl)piperazine-1-carboxylic acid
CID 69322377
4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid
CID 174713975
4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylic acid
CID 118063077
4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid
CID 91502477
2-[4-(2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-yl)piperazin-1-yl]propanoic acid
CID 123554068
4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 68644218
4-(5-aminopyrazin-2-yl)piperazine-1-carboxylic acid
CID 141367991
4-(2-aminophenyl)piperazine-1-carboxylic acid
CID 68854737
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 79020981
4-(7-amino-4-bromo-5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxylic acid
CID 18622508
tert-butyl 4-[(7R)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperazine-1-carboxylate
CID 91666158

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid (CID 146349530) is 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid is N[C@H]1COc2nc(N3CCN(C(=O)O)CC3)ccc2C1.
What is the InChIKey of 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid?
The InChIKey is OSUBUFRLRUCNDC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N4O3/c14-10-7-9-1-2-11(15-12(9)20-8-10)16-3-5-17(6-4-16)13(18)19/h1-2,10H,3-8,14H2,(H,18,19)/t10-/m1/s1.
What are the key properties of 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid?
4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 146349530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).