(2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid

C13H15NO3 — CID 119238189

IUPAC(2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)C1CCc2ccccc21)C(=O)O
InChIInChI=1S/C13H15NO3/c1-8(13(16)17)14-12(15)11-7-6-9-4-2-3-5-10(9)11/h2-5,8,11H,6-7H2,1H3,(H,14,15)(H,16,17)/t8-,11?/m0/s1
InChIKeyCHABXHLDAWDIQM-YMNIQAILSA-N
MW233.27 g/mol
LogP1.31
Rot. Bonds3

About (2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid

(2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid (PubChem CID 119238189) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid
PubChem CID119238189
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)C1CCc2ccccc21)C(=O)O
InChIInChI=1S/C13H15NO3/c1-8(13(16)17)14-12(15)11-7-6-9-4-2-3-5-10(9)11/h2-5,8,11H,6-7H2,1H3,(H,14,15)(H,16,17)/t8-,11?/m0/s1
InChIKeyCHABXHLDAWDIQM-YMNIQAILSA-N
XLogP1.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid
CID 119221067
2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)propanoic acid
CID 66396862
(2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid
CID 119364620
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
(2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid
CID 65262155
(E)-2-(2,3-dihydro-1H-indene-1-carbonylamino)hex-4-enoic acid
CID 120692514
(2R)-2-(3,4-dihydro-1H-isothiochromene-1-carbonylamino)propanoic acid
CID 119244164
N-(1-amino-1-hydroxyiminopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 76948358
N-(4-hydroxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 115734909
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 79245874
(2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid
CID 119367745
N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 57256640

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid?
The IUPAC name of (2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid (CID 119238189) is (2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid is C[C@H](NC(=O)C1CCc2ccccc21)C(=O)O.
What is the InChIKey of (2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid?
The InChIKey is CHABXHLDAWDIQM-YMNIQAILSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8(13(16)17)14-12(15)11-7-6-9-4-2-3-5-10(9)11/h2-5,8,11H,6-7H2,1H3,(H,14,15)(H,16,17)/t8-,11?/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid?
(2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid is sourced from PubChem (CID 119238189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).