N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide

C12H16N2O — CID 165456832

IUPACN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
SMILESCCC(=O)N[C@H]1Cc2ccccc2[C@@H]1N
InChIInChI=1S/C12H16N2O/c1-2-11(15)14-10-7-8-5-3-4-6-9(8)12(10)13/h3-6,10,12H,2,7,13H2,1H3,(H,14,15)/t10-,12-/m0/s1
InChIKeyZTUCMISNLULZLW-JQWIXIFHSA-N
MW204.27 g/mol
LogP1.14
Rot. Bonds2

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

N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide (PubChem CID 165456832) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
PubChem CID165456832
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
SMILESCCC(=O)N[C@H]1Cc2ccccc2[C@@H]1N
InChIInChI=1S/C12H16N2O/c1-2-11(15)14-10-7-8-5-3-4-6-9(8)12(10)13/h3-6,10,12H,2,7,13H2,1H3,(H,14,15)/t10-,12-/m0/s1
InChIKeyZTUCMISNLULZLW-JQWIXIFHSA-N
XLogP1.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxyacetamide
CID 166991162
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-methyl-3-pyridinyl)acetamide
CID 138049844
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride
CID 154901298
(2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide
CID 130277790
N-(1-amino-2,3-dihydro-1H-inden-2-yl)hydroxylamine
CID 144626033
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 138027230
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]pyridine-4-carboxamide
CID 142582886
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 138011362
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 138016639
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride
CID 154577752
N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 3976006

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide?
The IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide (CID 165456832) is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide.
What is the SMILES notation for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide?
The canonical SMILES for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide is CCC(=O)N[C@H]1Cc2ccccc2[C@@H]1N.
What is the InChIKey of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide?
The InChIKey is ZTUCMISNLULZLW-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-11(15)14-10-7-8-5-3-4-6-9(8)12(10)13/h3-6,10,12H,2,7,13H2,1H3,(H,14,15)/t10-,12-/m0/s1.
What are the key properties of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide?
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide has a molecular weight of 204.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide is sourced from PubChem (CID 165456832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).