(2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid

C9H14N2O3 — CID 129366758

IUPAC(2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid
SMILESCN(C)c1ccc(C[C@@H](N)C(=O)O)o1
InChIInChI=1S/C9H14N2O3/c1-11(2)8-4-3-6(14-8)5-7(10)9(12)13/h3-4,7H,5,10H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyPPVPRXUOJYLBII-SSDOTTSWSA-N
MW198.22 g/mol
LogP0.30
Rot. Bonds4

About (2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid

(2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid (PubChem CID 129366758) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid
PubChem CID129366758
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid
SMILESCN(C)c1ccc(C[C@@H](N)C(=O)O)o1
InChIInChI=1S/C9H14N2O3/c1-11(2)8-4-3-6(14-8)5-7(10)9(12)13/h3-4,7H,5,10H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyPPVPRXUOJYLBII-SSDOTTSWSA-N
XLogP0.30
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminobutyl)-N,N-dimethylfuran-2-amine
CID 170889541
5-(aminomethyl)-N,N-dimethylfuran-2-amine
CID 82418188
2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoic acid
CID 170879752
(2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid
CID 129366754
5-(2-aminoethyl)-N,N-dimethylfuran-2-amine
CID 55253433
(2R)-2-amino-3-(1,2-oxazol-5-yl)propanoic acid
CID 93495290
(2S)-2-amino-3-[3-(dimethylamino)phenyl]propanoic acid;dihydrochloride
CID 22950701
2-amino-3-[5-(2-nitrophenyl)furan-2-yl]propanoic acid
CID 170879545
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid
CID 117358774
2-amino-3-[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]propanoic acid
CID 170879803

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid (CID 129366758) is (2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid is CN(C)c1ccc(C[C@@H](N)C(=O)O)o1.
What is the InChIKey of (2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid?
The InChIKey is PPVPRXUOJYLBII-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-11(2)8-4-3-6(14-8)5-7(10)9(12)13/h3-4,7H,5,10H2,1-2H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid?
(2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid has a molecular weight of 198.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[5-(dimethylamino)furan-2-yl]propanoic acid is sourced from PubChem (CID 129366758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).