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

C11H11ClN2O2 — CID 20516941

IUPAC3-amino-2-(5-chloro-1H-indol-3-yl)propanoic acid
SMILESNCC(C(=O)O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C11H11ClN2O2/c12-6-1-2-10-7(3-6)9(5-14-10)8(4-13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)
InChIKeyYZABIOZFMITQHO-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.95
Rot. Bonds3

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

3-amino-2-(5-chloro-1H-indol-3-yl)propanoic acid (PubChem CID 20516941) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-amino-2-(5-chloro-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(5-chloro-1H-indol-3-yl)propanoic acid
PubChem CID20516941
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-amino-2-(5-chloro-1H-indol-3-yl)propanoic acid
SMILESNCC(C(=O)O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C11H11ClN2O2/c12-6-1-2-10-7(3-6)9(5-14-10)8(4-13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)
InChIKeyYZABIOZFMITQHO-UHFFFAOYSA-N
XLogP1.95
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-chloro-1H-indol-3-yl)propanoic acid?
The IUPAC name of 3-amino-2-(5-chloro-1H-indol-3-yl)propanoic acid (CID 20516941) is 3-amino-2-(5-chloro-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(5-chloro-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(5-chloro-1H-indol-3-yl)propanoic acid is NCC(C(=O)O)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 3-amino-2-(5-chloro-1H-indol-3-yl)propanoic acid?
The InChIKey is YZABIOZFMITQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-6-1-2-10-7(3-6)9(5-14-10)8(4-13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16).
What are the key properties of 3-amino-2-(5-chloro-1H-indol-3-yl)propanoic acid?
3-amino-2-(5-chloro-1H-indol-3-yl)propanoic acid has a molecular weight of 238.67 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-chloro-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 20516941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).