(3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid

C9H13NO3 — CID 55293673

IUPAC(3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid
SMILESCc1cc([C@H](N)CC(=O)O)c(C)o1
InChIInChI=1S/C9H13NO3/c1-5-3-7(6(2)13-5)8(10)4-9(11)12/h3,8H,4,10H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyRAEPFNVUTNSHPC-MRVPVSSYSA-N
MW183.21 g/mol
LogP1.37
Rot. Bonds3

About (3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid

(3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid (PubChem CID 55293673) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid
PubChem CID55293673
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid
SMILESCc1cc([C@H](N)CC(=O)O)c(C)o1
InChIInChI=1S/C9H13NO3/c1-5-3-7(6(2)13-5)8(10)4-9(11)12/h3,8H,4,10H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyRAEPFNVUTNSHPC-MRVPVSSYSA-N
XLogP1.37
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol
CID 96734857
(3S)-3-amino-3-(4,5-dimethylfuran-2-yl)propanoic acid
CID 130699855
(1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine
CID 130739107
1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine
CID 61078450
1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine
CID 115819722
3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 81066841
3-amino-3-(2,5-dimethyl-1H-pyrrol-3-yl)propanoic acid
CID 83530111
3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid
CID 170872895
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
(3R)-3-amino-3-(4-methyl-1H-pyrrol-3-yl)propanoic acid
CID 130676194
5-[1-(2,5-dimethylfuran-3-yl)ethylamino]pentanoic acid
CID 103246101
1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine
CID 115846874

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid (CID 55293673) is (3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid is Cc1cc([C@H](N)CC(=O)O)c(C)o1.
What is the InChIKey of (3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid?
The InChIKey is RAEPFNVUTNSHPC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-5-3-7(6(2)13-5)8(10)4-9(11)12/h3,8H,4,10H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid?
(3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid has a molecular weight of 183.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid is sourced from PubChem (CID 55293673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).