2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid

C12H15NO3 — CID 163969810

IUPAC2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
SMILESNC(Cc1ccc2c(c1)CC(O)C2)C(=O)O
InChIInChI=1S/C12H15NO3/c13-11(12(15)16)4-7-1-2-8-5-10(14)6-9(8)3-7/h1-3,10-11,14H,4-6,13H2,(H,15,16)
InChIKeySPADNFDRMXNMBG-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.10
Rot. Bonds3

About 2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid

2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid (PubChem CID 163969810) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
PubChem CID163969810
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
SMILESNC(Cc1ccc2c(c1)CC(O)C2)C(=O)O
InChIInChI=1S/C12H15NO3/c13-11(12(15)16)4-7-1-2-8-5-10(14)6-9(8)3-7/h1-3,10-11,14H,4-6,13H2,(H,15,16)
InChIKeySPADNFDRMXNMBG-UHFFFAOYSA-N
XLogP0.10
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 83837146
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2-amino-3-(3-fluoro-2-oxo-1,3-dihydroinden-5-yl)propanoic acid
CID 143703884
2-amino-3-(4H-1,3-benzodioxin-7-yl)propanoic acid
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2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;hydrate
CID 77239806
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;uranium
CID 157307595
CID 175932180
CID 175932180
tris((2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid);cerium
CID 163286860
(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;hydrochloride
CID 66974739
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid
CID 82392679

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid (CID 163969810) is 2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid is NC(Cc1ccc2c(c1)CC(O)C2)C(=O)O.
What is the InChIKey of 2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid?
The InChIKey is SPADNFDRMXNMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c13-11(12(15)16)4-7-1-2-8-5-10(14)6-9(8)3-7/h1-3,10-11,14H,4-6,13H2,(H,15,16).
What are the key properties of 2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid?
2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid has a molecular weight of 221.26 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid is sourced from PubChem (CID 163969810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).