(2R)-2-(1-benzofuran-3-ylamino)propanoic acid

C11H11NO3 — CID 142768973

IUPAC(2R)-2-(1-benzofuran-3-ylamino)propanoic acid
SMILESC[C@@H](Nc1coc2ccccc12)C(=O)O
InChIInChI=1S/C11H11NO3/c1-7(11(13)14)12-9-6-15-10-5-3-2-4-8(9)10/h2-7,12H,1H3,(H,13,14)/t7-/m1/s1
InChIKeyYWMSUSGDWNSVRB-SSDOTTSWSA-N
MW205.21 g/mol
LogP2.32
Rot. Bonds3

About (2R)-2-(1-benzofuran-3-ylamino)propanoic acid

(2R)-2-(1-benzofuran-3-ylamino)propanoic acid (PubChem CID 142768973) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2R)-2-(1-benzofuran-3-ylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(1-benzofuran-3-ylamino)propanoic acid
PubChem CID142768973
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(2R)-2-(1-benzofuran-3-ylamino)propanoic acid
SMILESC[C@@H](Nc1coc2ccccc12)C(=O)O
InChIInChI=1S/C11H11NO3/c1-7(11(13)14)12-9-6-15-10-5-3-2-4-8(9)10/h2-7,12H,1H3,(H,13,14)/t7-/m1/s1
InChIKeyYWMSUSGDWNSVRB-SSDOTTSWSA-N
XLogP2.32
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
CID 66694712
2-(1,2-benzoxazol-3-ylamino)propanoic acid
CID 69119449
N-(1-benzofuran-3-yl)-1-benzofuran-3-amine
CID 53410322
2-(2-aminoanilino)propanoic acid
CID 67237083
methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
CID 110485821
4-(1-benzofuran-3-ylmethylamino)-2-methyl-4-oxobutanoic acid
CID 115165103
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
2-anilinopropanoic acid;hydrochloride
CID 19096756
2-[(1-benzofuran-3-ylmethylamino)methyl]-3-methylbutanoic acid
CID 115250348
(2S)-3-(1-benzofuran-3-yl)-2-(methylamino)propanoic acid
CID 172529455
2-amino-3-(1-benzofuran-3-yl)-3-(methylamino)propanoic acid
CID 116957427
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-benzofuran-3-ylamino)propanoic acid?
The IUPAC name of (2R)-2-(1-benzofuran-3-ylamino)propanoic acid (CID 142768973) is (2R)-2-(1-benzofuran-3-ylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(1-benzofuran-3-ylamino)propanoic acid?
The canonical SMILES for (2R)-2-(1-benzofuran-3-ylamino)propanoic acid is C[C@@H](Nc1coc2ccccc12)C(=O)O.
What is the InChIKey of (2R)-2-(1-benzofuran-3-ylamino)propanoic acid?
The InChIKey is YWMSUSGDWNSVRB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7(11(13)14)12-9-6-15-10-5-3-2-4-8(9)10/h2-7,12H,1H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-(1-benzofuran-3-ylamino)propanoic acid?
(2R)-2-(1-benzofuran-3-ylamino)propanoic acid has a molecular weight of 205.21 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-benzofuran-3-ylamino)propanoic acid is sourced from PubChem (CID 142768973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).