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

C13H15NO4 — CID 107833491

IUPAC(2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H15NO4/c15-11(13(17)18)7-14-12(16)10-5-4-8-2-1-3-9(8)6-10/h4-6,11,15H,1-3,7H2,(H,14,16)(H,17,18)/t11-/m0/s1
InChIKeyPJPAAPRHDALCTO-NSHDSACASA-N
MW249.27 g/mol
LogP0.35
Rot. Bonds4

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

(2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid (PubChem CID 107833491) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid
PubChem CID107833491
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H15NO4/c15-11(13(17)18)7-14-12(16)10-5-4-8-2-1-3-9(8)6-10/h4-6,11,15H,1-3,7H2,(H,14,16)(H,17,18)/t11-/m0/s1
InChIKeyPJPAAPRHDALCTO-NSHDSACASA-N
XLogP0.35
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
CID 55105106
3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166416
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 65037202
N-(2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 85007437
(2S)-3-[(4-amino-3-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 114006812
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
(2R)-3-[[4-[4-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoyl]benzoyl]amino]-2-hydroxypropanoic acid
CID 91457471
(2S)-2-(2,3-dihydro-1H-indene-5-carbonylamino)butanedioic acid
CID 112732992
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 76953006
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 111697850
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 80716453

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid (CID 107833491) is (2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid is O=C(NC[C@H](O)C(=O)O)c1ccc2c(c1)CCC2.
What is the InChIKey of (2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid?
The InChIKey is PJPAAPRHDALCTO-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO4/c15-11(13(17)18)7-14-12(16)10-5-4-8-2-1-3-9(8)6-10/h4-6,11,15H,1-3,7H2,(H,14,16)(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid?
(2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid has a molecular weight of 249.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 107833491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).