2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid

C10H9BrN2O2 — CID 83903017

IUPAC2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid
SMILESNC(C(=O)O)c1cccc2[nH]cc(Br)c12
InChIInChI=1S/C10H9BrN2O2/c11-6-4-13-7-3-1-2-5(8(6)7)9(12)10(14)15/h1-4,9,13H,12H2,(H,14,15)
InChIKeyYATROHAEXJPSGW-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.01
Rot. Bonds2

About 2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid

2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid (PubChem CID 83903017) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid
PubChem CID83903017
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid
SMILESNC(C(=O)O)c1cccc2[nH]cc(Br)c12
InChIInChI=1S/C10H9BrN2O2/c11-6-4-13-7-3-1-2-5(8(6)7)9(12)10(14)15/h1-4,9,13H,12H2,(H,14,15)
InChIKeyYATROHAEXJPSGW-UHFFFAOYSA-N
XLogP2.01
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid
CID 82396670
2-(3-bromo-1H-indol-4-yl)propan-1-amine
CID 83900751
(2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid
CID 92855801
(2S,3S)-2,3-diamino-3-(4-chloro-1H-indol-3-yl)propanoic acid
CID 174256823
(2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid
CID 131039451
methyl 3-amino-2-(4-bromo-1H-indol-3-yl)propanoate
CID 156758001
(2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid
CID 66513231
3-(4-bromo-1H-indol-3-yl)propanoic acid
CID 28806342
4-amino-3-bromo-1H-indole-6-carboxylic acid
CID 84708356
2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid
CID 589768
(3S)-3-amino-3-(4-methyl-1H-indol-3-yl)propanoic acid
CID 96783337
2-(3-bromo-1H-indol-4-yl)propan-2-amine
CID 117385066

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid (CID 83903017) is 2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid is NC(C(=O)O)c1cccc2[nH]cc(Br)c12.
What is the InChIKey of 2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid?
The InChIKey is YATROHAEXJPSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-6-4-13-7-3-1-2-5(8(6)7)9(12)10(14)15/h1-4,9,13H,12H2,(H,14,15).
What are the key properties of 2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid?
2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid has a molecular weight of 269.10 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid is sourced from PubChem (CID 83903017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).