Saxagliptin

Name: Saxagliptin — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₅N₃O₂ — CID 11243969

💊View drug profile → saxagliptin

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

SMILESN#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2

InChIInChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1

InChIKeyQGJUIPDUBHWZPV-SGTAVMJGSA-N

MW315.42 g/mol

LogP1.16

Rot. Bonds2

About Saxagliptin

Saxagliptin (PubChem CID 11243969) has the molecular formula C₁₈H₂₅N₃O₂ and a molecular weight of 315.42 g/mol. Its IUPAC name is (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile.

Molecular Properties

Compound Name	Saxagliptin
PubChem CID	11243969
Molecular Formula	C₁₈H₂₅N₃O₂
Molecular Weight	315.42 g/mol
Exact Mass	315.19
IUPAC Name	(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILES	N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2
InChI	InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
InChIKey	QGJUIPDUBHWZPV-SGTAVMJGSA-N
XLogP	1.16
TPSA	90.35 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.42
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Saxagliptin?

The IUPAC name of Saxagliptin (CID 11243969) is (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile.

What is the SMILES notation for Saxagliptin?

The canonical SMILES for Saxagliptin is N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2.

What is the InChIKey of Saxagliptin?

The InChIKey is QGJUIPDUBHWZPV-SGTAVMJGSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1.

What are the key properties of Saxagliptin?

Saxagliptin has a molecular weight of 315.42 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Saxagliptin is sourced from PubChem (CID 11243969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: S · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 11243969 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 4114 — approved-drug record (CC BY-SA 4.0)

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