(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide

C13H18N2O2 — CID 119317459

IUPAC(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCOc1cccc2c1CCC2NC(=O)[C@H](C)N
InChIInChI=1S/C13H18N2O2/c1-8(14)13(16)15-11-7-6-10-9(11)4-3-5-12(10)17-2/h3-5,8,11H,6-7,14H2,1-2H3,(H,15,16)/t8-,11?/m0/s1
InChIKeyHPBDCLISXWHFIJ-YMNIQAILSA-N
MW234.30 g/mol
LogP1.15
Rot. Bonds3

About (2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide

(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide (PubChem CID 119317459) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
PubChem CID119317459
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCOc1cccc2c1CCC2NC(=O)[C@H](C)N
InChIInChI=1S/C13H18N2O2/c1-8(14)13(16)15-11-7-6-10-9(11)4-3-5-12(10)17-2/h3-5,8,11H,6-7,14H2,1-2H3,(H,15,16)/t8-,11?/m0/s1
InChIKeyHPBDCLISXWHFIJ-YMNIQAILSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-4,4-dimethyl-2-(methylamino)pentanamide
CID 166235164
1-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 119317483
methyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate
CID 63091357
2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide;hydrochloride
CID 120591605
(1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 100877000
2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 83910520
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
CID 97225938
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
CID 119300803
(2R)-2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119289450
8-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-5-oxaspiro[3.5]nonane-2-carboxamide
CID 167983409

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide (CID 119317459) is (2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide is COc1cccc2c1CCC2NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The InChIKey is HPBDCLISXWHFIJ-YMNIQAILSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(14)13(16)15-11-7-6-10-9(11)4-3-5-12(10)17-2/h3-5,8,11H,6-7,14H2,1-2H3,(H,15,16)/t8-,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide?
(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide has a molecular weight of 234.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide is sourced from PubChem (CID 119317459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).