2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid

C14H17NO3 — CID 43239418

IUPAC2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C14H17NO3/c1-9(14(17)18)15-13(16)8-10-5-6-11-3-2-4-12(11)7-10/h5-7,9H,2-4,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyUPQBDPRMHCKPHK-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.31
Rot. Bonds4

About 2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid

2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid (PubChem CID 43239418) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
PubChem CID43239418
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C14H17NO3/c1-9(14(17)18)15-13(16)8-10-5-6-11-3-2-4-12(11)7-10/h5-7,9H,2-4,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyUPQBDPRMHCKPHK-UHFFFAOYSA-N
XLogP1.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate
CID 60645922
N-(4-hydroxybutan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 81049521
(2R)-2-(2,3-dihydro-1H-inden-5-ylmethylamino)propanoic acid
CID 83195277
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid
CID 119372755
(2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid
CID 119244207
N-(furan-2-ylmethyl)-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 51096389
2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid
CID 65219085
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid
CID 119225524
2-(4-methylphenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 127120578

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid (CID 43239418) is 2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid is CC(NC(=O)Cc1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid?
The InChIKey is UPQBDPRMHCKPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(14(17)18)15-13(16)8-10-5-6-11-3-2-4-12(11)7-10/h5-7,9H,2-4,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid?
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid has a molecular weight of 247.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43239418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).