(2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide

C13H16N2O3 — CID 10467195

IUPAC(2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N[C@H](C(N)=O)[C@H]1CCc2cc(O)ccc21
InChIInChI=1S/C13H16N2O3/c1-7(16)15-12(13(14)18)11-4-2-8-6-9(17)3-5-10(8)11/h3,5-6,11-12,17H,2,4H2,1H3,(H2,14,18)(H,15,16)/t11-,12-/m0/s1
InChIKeyAQZULNMTBNWRTI-RYUDHWBXSA-N
MW248.28 g/mol
LogP0.41
Rot. Bonds3

About (2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide

(2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 10467195) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID10467195
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N[C@H](C(N)=O)[C@H]1CCc2cc(O)ccc21
InChIInChI=1S/C13H16N2O3/c1-7(16)15-12(13(14)18)11-4-2-8-6-9(17)3-5-10(8)11/h3,5-6,11-12,17H,2,4H2,1H3,(H2,14,18)(H,15,16)/t11-,12-/m0/s1
InChIKeyAQZULNMTBNWRTI-RYUDHWBXSA-N
XLogP0.41
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoate
CID 23529442
[(1R)-1-[(1S)-1-acetamido-2-amino-2-oxoethyl]-2,3-dihydro-1H-inden-5-yl] ditert-butyl phosphate
CID 10410979
methyl 2-acetamido-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 10062053
1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol
CID 84663504
methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate
CID 68632713
methyl (2S)-2-[(1S)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate
CID 59590884
1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 21447008
(1S)-1-amino-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 156588205
methyl 2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetate
CID 59590848
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
CID 107682607
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N,N-dimethylacetamide
CID 107684947
5-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid;methyl 5-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
CID 161190544

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of (2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide (CID 10467195) is (2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for (2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for (2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide is CC(=O)N[C@H](C(N)=O)[C@H]1CCc2cc(O)ccc21.
What is the InChIKey of (2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is AQZULNMTBNWRTI-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-7(16)15-12(13(14)18)11-4-2-8-6-9(17)3-5-10(8)11/h3,5-6,11-12,17H,2,4H2,1H3,(H2,14,18)(H,15,16)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide?
(2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 248.28 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 10467195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).