3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid

C13H17NO2 — CID 43652106

IUPAC3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
SMILESCC(CNC1CCc2ccccc21)C(=O)O
InChIInChI=1S/C13H17NO2/c1-9(13(15)16)8-14-12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12,14H,6-8H2,1H3,(H,15,16)
InChIKeyBOSDCBDDVDBCDE-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.98
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid

3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid (PubChem CID 43652106) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
PubChem CID43652106
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
SMILESCC(CNC1CCc2ccccc21)C(=O)O
InChIInChI=1S/C13H17NO2/c1-9(13(15)16)8-14-12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12,14H,6-8H2,1H3,(H,15,16)
InChIKeyBOSDCBDDVDBCDE-UHFFFAOYSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43652090
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide
CID 43652107
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
2-(2,3-dihydro-1H-inden-1-ylamino)-1-phenylethanol
CID 43394134
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
2,3-dihydroxybutanedioic acid;(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 53378885
N-butan-2-yl-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 43424190
butanedioic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 44611628
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
N-[2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]acetamide
CID 43206104
2-(2,3-dihydro-1H-inden-1-ylamino)-N,N-dimethylacetamide
CID 43215159

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid (CID 43652106) is 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid is CC(CNC1CCc2ccccc21)C(=O)O.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid?
The InChIKey is BOSDCBDDVDBCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(13(15)16)8-14-12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12,14H,6-8H2,1H3,(H,15,16).
What are the key properties of 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid?
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid has a molecular weight of 219.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid is sourced from PubChem (CID 43652106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).