2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid

C11H15NO3 — CID 84780585

IUPAC2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid
SMILESCc1oc2c(c1CC(N)C(=O)O)CCC2
InChIInChI=1S/C11H15NO3/c1-6-8(5-9(12)11(13)14)7-3-2-4-10(7)15-6/h9H,2-5,12H2,1H3,(H,13,14)
InChIKeySRZZTIMUVYIPGV-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.03
Rot. Bonds3

About 2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid

2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid (PubChem CID 84780585) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid
PubChem CID84780585
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid
SMILESCc1oc2c(c1CC(N)C(=O)O)CCC2
InChIInChI=1S/C11H15NO3/c1-6-8(5-9(12)11(13)14)7-3-2-4-10(7)15-6/h9H,2-5,12H2,1H3,(H,13,14)
InChIKeySRZZTIMUVYIPGV-UHFFFAOYSA-N
XLogP1.03
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-amino-2-carboxyethyl]-3,5-dimethylbenzoic acid;hydrochloride
CID 141482509
2-amino-3-(2,3,6-trimethylphenyl)propanoic acid
CID 122505443
(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
CID 154728811
(2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrochloride
CID 172652677
2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid;hydrate
CID 53393722
2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid
CID 170879455
2-amino-3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)propanoic acid
CID 117395806
2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid
CID 13406794
(2S)-2-amino-3-(2,6-difluoro-3-methylphenyl)propanoic acid
CID 68718009
4-[(2S)-2-amino-2-carboxyethyl]-2-ethyl-3-oxo-1,2-oxazole-5-carboxylic acid
CID 70009205
2-amino-3-(5-bromo-2-methylfuran-3-yl)propanoic acid
CID 82665105
(2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
CID 6992999

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid (CID 84780585) is 2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid is Cc1oc2c(c1CC(N)C(=O)O)CCC2.
What is the InChIKey of 2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid?
The InChIKey is SRZZTIMUVYIPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-6-8(5-9(12)11(13)14)7-3-2-4-10(7)15-6/h9H,2-5,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid?
2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)propanoic acid is sourced from PubChem (CID 84780585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).