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

C12H15NO2 — CID 43088449

IUPAC3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
SMILESO=C(O)CCNC1CCc2ccccc21
InChIInChI=1S/C12H15NO2/c14-12(15)7-8-13-11-6-5-9-3-1-2-4-10(9)11/h1-4,11,13H,5-8H2,(H,14,15)
InChIKeyQROSQRYTOXIIME-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.74
Rot. Bonds4

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

3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid (PubChem CID 43088449) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
PubChem CID43088449
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
SMILESO=C(O)CCNC1CCc2ccccc21
InChIInChI=1S/C12H15NO2/c14-12(15)7-8-13-11-6-5-9-3-1-2-4-10(9)11/h1-4,11,13H,5-8H2,(H,14,15)
InChIKeyQROSQRYTOXIIME-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
N-cyclopropyl-3-(2,3-dihydro-1H-inden-1-ylamino)propanamide
CID 62626829
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
butanedioic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 44611628
tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 113262066
N-[2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]acetamide
CID 43206104
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
CID 43652106
2-(2,3-dihydro-1H-inden-1-ylamino)-1-phenylethanol
CID 43394134
N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 55024692
N-cyclopropyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 79386308

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid (CID 43088449) is 3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid is O=C(O)CCNC1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid?
The InChIKey is QROSQRYTOXIIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(15)7-8-13-11-6-5-9-3-1-2-4-10(9)11/h1-4,11,13H,5-8H2,(H,14,15).
What are the key properties of 3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid?
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid has a molecular weight of 205.26 g/mol, XLogP of 1.74, 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)propanoic acid is sourced from PubChem (CID 43088449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).