methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate

C9H13NO3 — CID 171213571

IUPACmethyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate
SMILESCCc1ccc([C@H](N)C(=O)OC)o1
InChIInChI=1S/C9H13NO3/c1-3-6-4-5-7(13-6)8(10)9(11)12-2/h4-5,8H,3,10H2,1-2H3/t8-/m0/s1
InChIKeyLAFJWTWHKZQJDV-QMMMGPOBSA-N
MW183.21 g/mol
LogP1.01
Rot. Bonds3

About methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate

methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate (PubChem CID 171213571) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate
PubChem CID171213571
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namemethyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate
SMILESCCc1ccc([C@H](N)C(=O)OC)o1
InChIInChI=1S/C9H13NO3/c1-3-6-4-5-7(13-6)8(10)9(11)12-2/h4-5,8H,3,10H2,1-2H3/t8-/m0/s1
InChIKeyLAFJWTWHKZQJDV-QMMMGPOBSA-N
XLogP1.01
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate
CID 66098536
methyl 2-amino-2-(5-chlorofuran-2-yl)acetate
CID 130062270
(3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide
CID 78989110
ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate
CID 62345601
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine
CID 62346381
(1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol
CID 130625362
1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one
CID 55292431
methyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate
CID 100995697
3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide
CID 115867806
(1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride
CID 171213530
(1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
CID 171213556

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate?
The IUPAC name of methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate (CID 171213571) is methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate.
What is the SMILES notation for methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate?
The canonical SMILES for methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate is CCc1ccc([C@H](N)C(=O)OC)o1.
What is the InChIKey of methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate?
The InChIKey is LAFJWTWHKZQJDV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-6-4-5-7(13-6)8(10)9(11)12-2/h4-5,8H,3,10H2,1-2H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate?
methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate has a molecular weight of 183.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate is sourced from PubChem (CID 171213571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).