2-amino-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid

C9H14N4O2 — CID 21102109

IUPAC2-amino-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid
SMILESNC(CN1CCc2[nH]ncc2C1)C(=O)O
InChIInChI=1S/C9H14N4O2/c10-7(9(14)15)5-13-2-1-8-6(4-13)3-11-12-8/h3,7H,1-2,4-5,10H2,(H,11,12)(H,14,15)
InChIKeyDNBKIDMHXZGXDL-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.82
Rot. Bonds3

About 2-amino-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid

2-amino-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid (PubChem CID 21102109) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-amino-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid
PubChem CID21102109
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-amino-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid
SMILESNC(CN1CCc2[nH]ncc2C1)C(=O)O
InChIInChI=1S/C9H14N4O2/c10-7(9(14)15)5-13-2-1-8-6(4-13)3-11-12-8/h3,7H,1-2,4-5,10H2,(H,11,12)(H,14,15)
InChIKeyDNBKIDMHXZGXDL-UHFFFAOYSA-N
XLogP-0.82
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid (CID 21102109) is 2-amino-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid is NC(CN1CCc2[nH]ncc2C1)C(=O)O.
What is the InChIKey of 2-amino-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid?
The InChIKey is DNBKIDMHXZGXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-7(9(14)15)5-13-2-1-8-6(4-13)3-11-12-8/h3,7H,1-2,4-5,10H2,(H,11,12)(H,14,15).
What are the key properties of 2-amino-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid?
2-amino-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid has a molecular weight of 210.24 g/mol, XLogP of -0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanoic acid is sourced from PubChem (CID 21102109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).