3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid

C6H9NO3 — CID 53417326

IUPAC3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid
SMILESNC1C=CCOC1C(=O)O
InChIInChI=1S/C6H9NO3/c7-4-2-1-3-10-5(4)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)
InChIKeyPDQJVCHMPBCJAK-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.65
Rot. Bonds1

About 3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid

3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid (PubChem CID 53417326) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid
PubChem CID53417326
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid
SMILESNC1C=CCOC1C(=O)O
InChIInChI=1S/C6H9NO3/c7-4-2-1-3-10-5(4)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)
InChIKeyPDQJVCHMPBCJAK-UHFFFAOYSA-N
XLogP-0.65
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-2-[(2S)-2,5-dihydrofuran-2-yl]acetic acid
CID 46188742
(2S,3S)-3-aminooxetane-2-carboxylic acid
CID 55273860
ethyl (2R,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 10103604
(1S,2R)-2-aminocyclohex-3-ene-1-carboxylic acid
CID 7016465
(12Z)-1,4,7,10-tetraoxacyclotetradec-12-ene-5,6-dicarboxylic acid
CID 59920283
3-aminooxolane-2-carboxylic acid
CID 53421314
1-(2,5-dihydrofuran-2-yl)ethanone
CID 175402155
(2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride
CID 170912384
(2R)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 138535006
(2R,3S,4S,5R)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 100924413
(4S,4aR,8S,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4,8-dicarboxylic acid
CID 122399437
N,N-di(propan-2-yl)-2,5-dihydrofuran-2-carboxamide
CID 10535936

Frequently Asked Questions

What is the IUPAC name of 3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid?
The IUPAC name of 3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid (CID 53417326) is 3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid.
What is the SMILES notation for 3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid?
The canonical SMILES for 3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid is NC1C=CCOC1C(=O)O.
What is the InChIKey of 3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid?
The InChIKey is PDQJVCHMPBCJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c7-4-2-1-3-10-5(4)6(8)9/h1-2,4-5H,3,7H2,(H,8,9).
What are the key properties of 3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid?
3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid is sourced from PubChem (CID 53417326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).