2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetic acid

C8H13NO3 — CID 62064886

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetic acid
SMILESO=C(O)CNCC1CCC=CO1
InChIInChI=1S/C8H13NO3/c10-8(11)6-9-5-7-3-1-2-4-12-7/h2,4,7,9H,1,3,5-6H2,(H,10,11)
InChIKeyFPPKKKJLYUNOPZ-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.35
Rot. Bonds4

About 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetic acid

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetic acid (PubChem CID 62064886) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetic acid
PubChem CID62064886
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetic acid
SMILESO=C(O)CNCC1CCC=CO1
InChIInChI=1S/C8H13NO3/c10-8(11)6-9-5-7-3-1-2-4-12-7/h2,4,7,9H,1,3,5-6H2,(H,10,11)
InChIKeyFPPKKKJLYUNOPZ-UHFFFAOYSA-N
XLogP0.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetic acid?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetic acid (CID 62064886) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetic acid is O=C(O)CNCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetic acid?
The InChIKey is FPPKKKJLYUNOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-8(11)6-9-5-7-3-1-2-4-12-7/h2,4,7,9H,1,3,5-6H2,(H,10,11).
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetic acid?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetic acid has a molecular weight of 171.20 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetic acid is sourced from PubChem (CID 62064886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).