3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid

C14H17NO3 — CID 55105106

IUPAC3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
SMILESCC(CNC(=O)c1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C14H17NO3/c1-9(14(17)18)8-15-13(16)12-6-5-10-3-2-4-11(10)7-12/h5-7,9H,2-4,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyADVGRVZNRAACRL-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.63
Rot. Bonds4

About 3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid

3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid (PubChem CID 55105106) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
PubChem CID55105106
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
SMILESCC(CNC(=O)c1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C14H17NO3/c1-9(14(17)18)8-15-13(16)12-6-5-10-3-2-4-11(10)7-12/h5-7,9H,2-4,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyADVGRVZNRAACRL-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 63733095
(2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid
CID 107833491
N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 65037202
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 76953006
N-(2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 85007437
4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-4-oxobutanoic acid
CID 20509536
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971
(2S)-2-(2,3-dihydro-1H-indene-5-carbonylamino)butanedioic acid
CID 112732992
(2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 78975834
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
2-methyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 70167994
N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid (CID 55105106) is 3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid is CC(CNC(=O)c1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid?
The InChIKey is ADVGRVZNRAACRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(14(17)18)8-15-13(16)12-6-5-10-3-2-4-11(10)7-12/h5-7,9H,2-4,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid?
3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid has a molecular weight of 247.29 g/mol, XLogP of 1.63, 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-indene-5-carbonylamino)-2-methylpropanoic acid is sourced from PubChem (CID 55105106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).