2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane

C15H23ClN2O2 — CID 145142461

IUPAC2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane
SMILESCC.CC.NC(Cc1c[nH]c2cc(Cl)ccc12)C(=O)O
InChIInChI=1S/C11H11ClN2O2.2C2H6/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7;2*1-2/h1-2,4-5,9,14H,3,13H2,(H,15,16);2*1-2H3
InChIKeyWJFKYGPMTLRGOW-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.83
Rot. Bonds3

About 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane

2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane (PubChem CID 145142461) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane.

Molecular Properties

Compound Name2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane
PubChem CID145142461
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane
SMILESCC.CC.NC(Cc1c[nH]c2cc(Cl)ccc12)C(=O)O
InChIInChI=1S/C11H11ClN2O2.2C2H6/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7;2*1-2/h1-2,4-5,9,14H,3,13H2,(H,15,16);2*1-2H3
InChIKeyWJFKYGPMTLRGOW-UHFFFAOYSA-N
XLogP3.83
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane?
The IUPAC name of 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane (CID 145142461) is 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane.
What is the SMILES notation for 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane?
The canonical SMILES for 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane is CC.CC.NC(Cc1c[nH]c2cc(Cl)ccc12)C(=O)O.
What is the InChIKey of 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane?
The InChIKey is WJFKYGPMTLRGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2.2C2H6/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7;2*1-2/h1-2,4-5,9,14H,3,13H2,(H,15,16);2*1-2H3.
What are the key properties of 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane?
2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane has a molecular weight of 298.81 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane is sourced from PubChem (CID 145142461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).