2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid

C8H8N4O2 — CID 76849422

IUPAC2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid
SMILESO=C(O)CNc1ncnc2[nH]ccc12
InChIInChI=1S/C8H8N4O2/c13-6(14)3-10-8-5-1-2-9-7(5)11-4-12-8/h1-2,4H,3H2,(H,13,14)(H2,9,10,11,12)
InChIKeyAUFYLGPKOJZBOL-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.45
Rot. Bonds3

About 2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid

2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid (PubChem CID 76849422) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid.

Molecular Properties

Compound Name2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid
PubChem CID76849422
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid
SMILESO=C(O)CNc1ncnc2[nH]ccc12
InChIInChI=1S/C8H8N4O2/c13-6(14)3-10-8-5-1-2-9-7(5)11-4-12-8/h1-2,4H,3H2,(H,13,14)(H2,9,10,11,12)
InChIKeyAUFYLGPKOJZBOL-UHFFFAOYSA-N
XLogP0.45
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid?
The IUPAC name of 2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid (CID 76849422) is 2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid.
What is the SMILES notation for 2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid?
The canonical SMILES for 2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid is O=C(O)CNc1ncnc2[nH]ccc12.
What is the InChIKey of 2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid?
The InChIKey is AUFYLGPKOJZBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c13-6(14)3-10-8-5-1-2-9-7(5)11-4-12-8/h1-2,4H,3H2,(H,13,14)(H2,9,10,11,12).
What are the key properties of 2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid?
2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid has a molecular weight of 192.18 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)acetic acid is sourced from PubChem (CID 76849422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).