(2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide

C10H16N2O2S — CID 104909117

IUPAC(2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NCc1ccoc1
InChIInChI=1S/C10H16N2O2S/c1-15-5-3-9(11)10(13)12-6-8-2-4-14-7-8/h2,4,7,9H,3,5-6,11H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyXHDDYXZYTCVUJU-SECBINFHSA-N
MW228.32 g/mol
LogP0.98
Rot. Bonds6

About (2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide (PubChem CID 104909117) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is (2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide
PubChem CID104909117
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name(2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NCc1ccoc1
InChIInChI=1S/C10H16N2O2S/c1-15-5-3-9(11)10(13)12-6-8-2-4-14-7-8/h2,4,7,9H,3,5-6,11H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyXHDDYXZYTCVUJU-SECBINFHSA-N
XLogP0.98
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(furan-3-ylmethyl)butanamide
CID 104874097
(2S)-2-amino-N-[(4-aminophenyl)methyl]-4-methylsulfanylbutanamide
CID 23598003
4-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]-N-methylbenzamide
CID 61250668
(2R)-2-amino-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 104906766
(2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 22690032
(2S)-2-amino-4-methylsulfanyl-N-(1,2-oxazol-5-ylmethyl)butanamide
CID 106417251
(2S)-2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-methylsulfanylbutanamide
CID 61156149
(2S)-2-amino-N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119274865
(2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119301150
(2S)-2-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-methylsulfanylbutanamide
CID 119842498
(2S)-2-amino-4-methylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119838437
2-amino-4-methylsulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]butanamide;hydrochloride
CID 119274105

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide (CID 104909117) is (2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NCc1ccoc1.
What is the InChIKey of (2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide?
The InChIKey is XHDDYXZYTCVUJU-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-15-5-3-9(11)10(13)12-6-8-2-4-14-7-8/h2,4,7,9H,3,5-6,11H2,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide has a molecular weight of 228.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(furan-3-ylmethyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104909117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).