2-[[(1R)-1H-inden-1-yl]amino]acetic acid

C11H11NO2 — CID 40800894

IUPAC2-[[(1R)-1H-inden-1-yl]amino]acetic acid
SMILESO=C(O)CN[C@@H]1C=Cc2ccccc21
InChIInChI=1S/C11H11NO2/c13-11(14)7-12-10-6-5-8-3-1-2-4-9(8)10/h1-6,10,12H,7H2,(H,13,14)/t10-/m1/s1
InChIKeyCNATVJCEQDWMAH-SNVBAGLBSA-N
MW189.21 g/mol
LogP1.43
Rot. Bonds3

About 2-[[(1R)-1H-inden-1-yl]amino]acetic acid

2-[[(1R)-1H-inden-1-yl]amino]acetic acid (PubChem CID 40800894) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[[(1R)-1H-inden-1-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(1R)-1H-inden-1-yl]amino]acetic acid
PubChem CID40800894
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-[[(1R)-1H-inden-1-yl]amino]acetic acid
SMILESO=C(O)CN[C@@H]1C=Cc2ccccc21
InChIInChI=1S/C11H11NO2/c13-11(14)7-12-10-6-5-8-3-1-2-4-9(8)10/h1-6,10,12H,7H2,(H,13,14)/t10-/m1/s1
InChIKeyCNATVJCEQDWMAH-SNVBAGLBSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1H-inden-1-amine
CID 141131731
N'-[(1S)-1H-inden-1-yl]-2-phenylacetohydrazide
CID 69189039
N-prop-2-ynyl-1H-inden-1-amine
CID 20977367
(2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid
CID 40800949
2-(oxiran-2-ylmethylamino)acetic acid;N-(1-phenylpropyl)-1H-inden-1-amine
CID 162147233
2-(1H-inden-1-ylsulfonyl)acetic acid
CID 88639487
1-(sulfinatoamino)-1H-indene
CID 174298626
1H-indene-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 158788540
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
CID 22976313
1H-inden-1-yl carbamate
CID 57124867
2,3,3-tris(1H-inden-1-yl)prop-2-enoic acid
CID 151679276

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1H-inden-1-yl]amino]acetic acid?
The IUPAC name of 2-[[(1R)-1H-inden-1-yl]amino]acetic acid (CID 40800894) is 2-[[(1R)-1H-inden-1-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(1R)-1H-inden-1-yl]amino]acetic acid?
The canonical SMILES for 2-[[(1R)-1H-inden-1-yl]amino]acetic acid is O=C(O)CN[C@@H]1C=Cc2ccccc21.
What is the InChIKey of 2-[[(1R)-1H-inden-1-yl]amino]acetic acid?
The InChIKey is CNATVJCEQDWMAH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11(14)7-12-10-6-5-8-3-1-2-4-9(8)10/h1-6,10,12H,7H2,(H,13,14)/t10-/m1/s1.
What are the key properties of 2-[[(1R)-1H-inden-1-yl]amino]acetic acid?
2-[[(1R)-1H-inden-1-yl]amino]acetic acid has a molecular weight of 189.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1H-inden-1-yl]amino]acetic acid is sourced from PubChem (CID 40800894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).