(2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid

C11H11BrN2O2 — CID 688350

IUPAC(2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid
SMILESN[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O
InChIInChI=1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m1/s1
InChIKeyKZDNJQUJBMDHJW-SECBINFHSA-N
MW283.12 g/mol
LogP1.88
Rot. Bonds3

About (2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid

(2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid (PubChem CID 688350) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is (2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid
PubChem CID688350
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name(2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid
SMILESN[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O
InChIInChI=1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m1/s1
InChIKeyKZDNJQUJBMDHJW-SECBINFHSA-N
XLogP1.88
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Butyric Acid
CID 8617
L-Tryptophan
CID 6305
Indole-3-Acetic Acid
CID 802
1H-Indole-3-propanoic acid
CID 3744
D-Tryptophan
CID 9060
Dl-Tryptophan
CID 1148
Indole-3-pyruvic acid
CID 803
N-Acetyl-L-tryptophan
CID 700653
N-Acetyltryptophan
CID 2002
Indoximod
CID 405012
2-azaniumyl-3-(1H-indol-3-yl)propanoate
CID 4099458
Valyltryptophan
CID 168182

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid (CID 688350) is (2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid is N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid?
The InChIKey is KZDNJQUJBMDHJW-SECBINFHSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid?
(2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid has a molecular weight of 283.12 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 688350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).