(2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid

C16H17NO4 — CID 119244207

IUPAC(2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)O
InChIInChI=1S/C16H17NO4/c1-9(16(19)20)17-15(18)7-12-8-21-14-6-11-4-2-3-10(11)5-13(12)14/h5-6,8-9H,2-4,7H2,1H3,(H,17,18)(H,19,20)/t9-/m1/s1
InChIKeyQTUMUMFLGXFLRS-SECBINFHSA-N
MW287.31 g/mol
LogP2.05
Rot. Bonds4

About (2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid

(2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid (PubChem CID 119244207) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid
PubChem CID119244207
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)O
InChIInChI=1S/C16H17NO4/c1-9(16(19)20)17-15(18)7-12-8-21-14-6-11-4-2-3-10(11)5-13(12)14/h5-6,8-9H,2-4,7H2,1H3,(H,17,18)(H,19,20)/t9-/m1/s1
InChIKeyQTUMUMFLGXFLRS-SECBINFHSA-N
XLogP2.05
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

3-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 119237147
(E)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]hex-4-enoic acid
CID 120693190
diethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate
CID 33242600
N-tert-butyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 9451645
2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-2-methylbutanoic acid
CID 119199364
N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide
CID 55675441
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-hydroxypropyl)acetamide
CID 78798042
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 8897998
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 55982508
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51154057
N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 46462194

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid (CID 119244207) is (2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid is C[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid?
The InChIKey is QTUMUMFLGXFLRS-SECBINFHSA-N. The full InChI is InChI=1S/C16H17NO4/c1-9(16(19)20)17-15(18)7-12-8-21-14-6-11-4-2-3-10(11)5-13(12)14/h5-6,8-9H,2-4,7H2,1H3,(H,17,18)(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid?
(2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid has a molecular weight of 287.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119244207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).