(2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid

C11H13NO3 — CID 62717626

IUPAC(2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
SMILESN[C@@H](Cc1ccc2c(c1)CCO2)C(=O)O
InChIInChI=1S/C11H13NO3/c12-9(11(13)14)6-7-1-2-10-8(5-7)3-4-15-10/h1-2,5,9H,3-4,6,12H2,(H,13,14)/t9-/m0/s1
InChIKeyHKGMTLHJHVAQAL-VIFPVBQESA-N
MW207.23 g/mol
LogP0.58
Rot. Bonds3

About (2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid

(2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid (PubChem CID 62717626) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
PubChem CID62717626
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
SMILESN[C@@H](Cc1ccc2c(c1)CCO2)C(=O)O
InChIInChI=1S/C11H13NO3/c12-9(11(13)14)6-7-1-2-10-8(5-7)3-4-15-10/h1-2,5,9H,3-4,6,12H2,(H,13,14)/t9-/m0/s1
InChIKeyHKGMTLHJHVAQAL-VIFPVBQESA-N
XLogP0.58
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]propanoic acid
CID 172529875
3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid
CID 81357256
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbutanoic acid
CID 116930721
2-amino-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propanoic acid
CID 117376321
1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine
CID 62722576
2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide
CID 116849113
(2S)-2-amino-3-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-6-yl)propanoic acid
CID 177060122
2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 117322838
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 93297974
(2S)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 66510589
2-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxyethanesulfonic acid
CID 59816088
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid (CID 62717626) is (2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid is N[C@@H](Cc1ccc2c(c1)CCO2)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
The InChIKey is HKGMTLHJHVAQAL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13NO3/c12-9(11(13)14)6-7-1-2-10-8(5-7)3-4-15-10/h1-2,5,9H,3-4,6,12H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
(2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid has a molecular weight of 207.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid is sourced from PubChem (CID 62717626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).