2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid

C10H8F2N2O2 — CID 117324730

IUPAC2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid
SMILESNC(C(=O)O)c1c(F)cc2cc[nH]c2c1F
InChIInChI=1S/C10H8F2N2O2/c11-5-3-4-1-2-14-9(4)7(12)6(5)8(13)10(15)16/h1-3,8,14H,13H2,(H,15,16)
InChIKeyBEKHLVKPVLNNCP-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.53
Rot. Bonds2

About 2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid

2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid (PubChem CID 117324730) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid
PubChem CID117324730
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid
SMILESNC(C(=O)O)c1c(F)cc2cc[nH]c2c1F
InChIInChI=1S/C10H8F2N2O2/c11-5-3-4-1-2-14-9(4)7(12)6(5)8(13)10(15)16/h1-3,8,14H,13H2,(H,15,16)
InChIKeyBEKHLVKPVLNNCP-UHFFFAOYSA-N
XLogP1.53
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(5,7-difluoro-1H-indol-6-yl)propanoic acid
CID 117352563
2-amino-2-(5,7-difluoro-1H-indol-6-yl)ethanol
CID 117302615
1-(5,7-difluoro-1H-indol-6-yl)ethanol
CID 117286630
5,7-difluoro-1H-indole-6-carboxylic acid
CID 117274550
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid
CID 130605598
1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine
CID 117300028
7-fluoro-1H-indole-5-carboxylic acid
CID 11564558
2-amino-2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid
CID 117337661
2-amino-2-(3-bromo-2,5,6-trifluorophenyl)acetic acid
CID 117115132
4-[amino(carboxy)methyl]-2,3,5,6-tetrafluorobenzoic acid
CID 117421018
2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid
CID 135313699
(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
CID 130640522

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid?
The IUPAC name of 2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid (CID 117324730) is 2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid is NC(C(=O)O)c1c(F)cc2cc[nH]c2c1F.
What is the InChIKey of 2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid?
The InChIKey is BEKHLVKPVLNNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c11-5-3-4-1-2-14-9(4)7(12)6(5)8(13)10(15)16/h1-3,8,14H,13H2,(H,15,16).
What are the key properties of 2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid?
2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid has a molecular weight of 226.18 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid is sourced from PubChem (CID 117324730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).