(2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid

C12H16N2O2 — CID 66512358

IUPAC(2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid
SMILESCCN1CCc2cc([C@H](N)C(=O)O)ccc21
InChIInChI=1S/C12H16N2O2/c1-2-14-6-5-8-7-9(3-4-10(8)14)11(13)12(15)16/h3-4,7,11H,2,5-6,13H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyQTGHGMINQUTHLS-NSHDSACASA-N
MW220.27 g/mol
LogP1.15
Rot. Bonds3

About (2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid

(2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid (PubChem CID 66512358) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid
PubChem CID66512358
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid
SMILESCCN1CCc2cc([C@H](N)C(=O)O)ccc21
InChIInChI=1S/C12H16N2O2/c1-2-14-6-5-8-7-9(3-4-10(8)14)11(13)12(15)16/h3-4,7,11H,2,5-6,13H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyQTGHGMINQUTHLS-NSHDSACASA-N
XLogP1.15
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethyl-2,3-dihydroindol-5-yl)butanoic acid
CID 115114845
2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide
CID 22711549
methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate
CID 170884528
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid
CID 115106001
methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate
CID 170884527
3-(5-acetyl-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 82316589
2-(1-ethyl-2,3-dihydroindol-5-yl)propan-2-amine
CID 115114838
2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide
CID 102661516
(2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid
CID 66513230
2-amino-2-(3-chloro-4-pyrrolidin-1-ylphenyl)acetic acid
CID 77128938
1-ethyl-2,3-dihydroindol-6-ol
CID 23082698
N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid (CID 66512358) is (2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid is CCN1CCc2cc([C@H](N)C(=O)O)ccc21.
What is the InChIKey of (2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid?
The InChIKey is QTGHGMINQUTHLS-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-14-6-5-8-7-9(3-4-10(8)14)11(13)12(15)16/h3-4,7,11H,2,5-6,13H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid?
(2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid has a molecular weight of 220.27 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-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid is sourced from PubChem (CID 66512358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).