2-amino-2-(3,6-dihydro-2H-pyran-4-yl)acetic acid

C7H11NO3 — CID 114438007

IUPAC2-amino-2-(3,6-dihydro-2H-pyran-4-yl)acetic acid
SMILESNC(C(=O)O)C1=CCOCC1
InChIInChI=1S/C7H11NO3/c8-6(7(9)10)5-1-3-11-4-2-5/h1,6H,2-4,8H2,(H,9,10)
InChIKeyLAKMXJADCMIKLE-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.25
Rot. Bonds2

About 2-amino-2-(3,6-dihydro-2H-pyran-4-yl)acetic acid

2-amino-2-(3,6-dihydro-2H-pyran-4-yl)acetic acid (PubChem CID 114438007) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-amino-2-(3,6-dihydro-2H-pyran-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3,6-dihydro-2H-pyran-4-yl)acetic acid
PubChem CID114438007
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-amino-2-(3,6-dihydro-2H-pyran-4-yl)acetic acid
SMILESNC(C(=O)O)C1=CCOCC1
InChIInChI=1S/C7H11NO3/c8-6(7(9)10)5-1-3-11-4-2-5/h1,6H,2-4,8H2,(H,9,10)
InChIKeyLAKMXJADCMIKLE-UHFFFAOYSA-N
XLogP-0.25
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,6-dihydro-2H-pyran-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(3,6-dihydro-2H-pyran-4-yl)acetic acid (CID 114438007) is 2-amino-2-(3,6-dihydro-2H-pyran-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(3,6-dihydro-2H-pyran-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(3,6-dihydro-2H-pyran-4-yl)acetic acid is NC(C(=O)O)C1=CCOCC1.
What is the InChIKey of 2-amino-2-(3,6-dihydro-2H-pyran-4-yl)acetic acid?
The InChIKey is LAKMXJADCMIKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c8-6(7(9)10)5-1-3-11-4-2-5/h1,6H,2-4,8H2,(H,9,10).
What are the key properties of 2-amino-2-(3,6-dihydro-2H-pyran-4-yl)acetic acid?
2-amino-2-(3,6-dihydro-2H-pyran-4-yl)acetic acid has a molecular weight of 157.17 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,6-dihydro-2H-pyran-4-yl)acetic acid is sourced from PubChem (CID 114438007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).