2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid

C11H13NO2 — CID 13100819

IUPAC2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
SMILESO=C(O)CN[C@H]1CCc2ccccc21
InChIInChI=1S/C11H13NO2/c13-11(14)7-12-10-6-5-8-3-1-2-4-9(8)10/h1-4,10,12H,5-7H2,(H,13,14)/t10-/m0/s1
InChIKeyMKFDYOISVJDNKS-JTQLQIEISA-N
MW191.23 g/mol
LogP1.35
Rot. Bonds3

About 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid

2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid (PubChem CID 13100819) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
PubChem CID13100819
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
SMILESO=C(O)CN[C@H]1CCc2ccccc21
InChIInChI=1S/C11H13NO2/c13-11(14)7-12-10-6-5-8-3-1-2-4-9(8)10/h1-4,10,12H,5-7H2,(H,13,14)/t10-/m0/s1
InChIKeyMKFDYOISVJDNKS-JTQLQIEISA-N
XLogP1.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
CID 22976313
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
2-(2,3-dihydro-1H-inden-1-ylamino)-N,N-dimethylacetamide
CID 43215159
2-(2,3-dihydro-1H-inden-1-ylamino)-1-piperidin-1-ylethanone
CID 43411240
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
CID 43652106
2-(2,3-dihydro-1H-inden-1-ylamino)acetic acid;prop-2-enyl (2S)-2-amino-3-methylbutanoate
CID 131731717
N-butan-2-yl-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 43424190
2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60702700
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
butanedioic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 44611628
2-(2,3-dihydro-1H-inden-1-ylamino)-1-morpholin-4-ylethanone
CID 43411223
N-[2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]acetamide
CID 43206104

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid?
The IUPAC name of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid (CID 13100819) is 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid?
The canonical SMILES for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid is O=C(O)CN[C@H]1CCc2ccccc21.
What is the InChIKey of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid?
The InChIKey is MKFDYOISVJDNKS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO2/c13-11(14)7-12-10-6-5-8-3-1-2-4-9(8)10/h1-4,10,12H,5-7H2,(H,13,14)/t10-/m0/s1.
What are the key properties of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid?
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid has a molecular weight of 191.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid is sourced from PubChem (CID 13100819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).