(2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide

C9H16N2O2 — CID 130892874

IUPAC(2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide
SMILESC[C@H](N)C(=O)NCC1=CCCOC1
InChIInChI=1S/C9H16N2O2/c1-7(10)9(12)11-5-8-3-2-4-13-6-8/h3,7H,2,4-6,10H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyBZWJRRBZAFSLGE-ZETCQYMHSA-N
MW184.24 g/mol
LogP-0.20
Rot. Bonds3

About (2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide

(2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide (PubChem CID 130892874) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide
PubChem CID130892874
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide
SMILESC[C@H](N)C(=O)NCC1=CCCOC1
InChIInChI=1S/C9H16N2O2/c1-7(10)9(12)11-5-8-3-2-4-13-6-8/h3,7H,2,4-6,10H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyBZWJRRBZAFSLGE-ZETCQYMHSA-N
XLogP-0.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.20
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 (2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide (CID 130892874) is (2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide is C[C@H](N)C(=O)NCC1=CCCOC1.
What is the InChIKey of (2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide?
The InChIKey is BZWJRRBZAFSLGE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(10)9(12)11-5-8-3-2-4-13-6-8/h3,7H,2,4-6,10H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide?
(2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide has a molecular weight of 184.24 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide is sourced from PubChem (CID 130892874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).