(3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide

C9H14N2O2 — CID 78989110

IUPAC(3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide
SMILESCCc1ccc([C@@H](N)CC(N)=O)o1
InChIInChI=1S/C9H14N2O2/c1-2-6-3-4-8(13-6)7(10)5-9(11)12/h3-4,7H,2,5,10H2,1H3,(H2,11,12)/t7-/m0/s1
InChIKeyWWNLCWYHXAQFPD-ZETCQYMHSA-N
MW182.22 g/mol
LogP0.72
Rot. Bonds4

About (3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide

(3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide (PubChem CID 78989110) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide
PubChem CID78989110
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide
SMILESCCc1ccc([C@@H](N)CC(N)=O)o1
InChIInChI=1S/C9H14N2O2/c1-2-6-3-4-8(13-6)7(10)5-9(11)12/h3-4,7H,2,5,10H2,1H3,(H2,11,12)/t7-/m0/s1
InChIKeyWWNLCWYHXAQFPD-ZETCQYMHSA-N
XLogP0.72
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide?
The IUPAC name of (3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide (CID 78989110) is (3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide.
What is the SMILES notation for (3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide?
The canonical SMILES for (3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide is CCc1ccc([C@@H](N)CC(N)=O)o1.
What is the InChIKey of (3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide?
The InChIKey is WWNLCWYHXAQFPD-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-6-3-4-8(13-6)7(10)5-9(11)12/h3-4,7H,2,5,10H2,1H3,(H2,11,12)/t7-/m0/s1.
What are the key properties of (3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide?
(3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide has a molecular weight of 182.22 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide is sourced from PubChem (CID 78989110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).