2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane

C19H22N2O2 — CID 145142322

IUPAC2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane
SMILESCC.NC(Cc1c[nH]c2c(-c3ccccc3)cccc12)C(=O)O
InChIInChI=1S/C17H16N2O2.C2H6/c18-15(17(20)21)9-12-10-19-16-13(7-4-8-14(12)16)11-5-2-1-3-6-11;1-2/h1-8,10,15,19H,9,18H2,(H,20,21);1-2H3
InChIKeyQPLZNZRKRSZCJA-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.82
Rot. Bonds4

About 2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane

2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane (PubChem CID 145142322) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane.

Molecular Properties

Compound Name2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane
PubChem CID145142322
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane
SMILESCC.NC(Cc1c[nH]c2c(-c3ccccc3)cccc12)C(=O)O
InChIInChI=1S/C17H16N2O2.C2H6/c18-15(17(20)21)9-12-10-19-16-13(7-4-8-14(12)16)11-5-2-1-3-6-11;1-2/h1-8,10,15,19H,9,18H2,(H,20,21);1-2H3
InChIKeyQPLZNZRKRSZCJA-UHFFFAOYSA-N
XLogP3.82
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-[7-(3-methoxyphenyl)-1H-indol-3-yl]propanoic acid
CID 162462308
(2S)-2-amino-3-(7-phenanthren-4-yl-1H-indol-3-yl)propanoic acid
CID 162462330
(2S)-2-amino-3-[7-(1-methylpyrazol-3-yl)-1H-indol-3-yl]propanoic acid
CID 172529051
2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane
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(2R)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[(7-phenyl-1H-indol-3-yl)methyl]propanoic acid
CID 138470166
(2S)-2-amino-3-(7-methylsulfanyl-1H-indol-3-yl)propanoic acid
CID 122499498
(2S)-2-amino-3-(7-formyl-1H-indol-3-yl)propanoic acid
CID 102224703
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(7-prop-2-enyl-1H-indol-3-yl)propanoic acid
CID 138470175
CID 166479536
CID 166479536
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane?
The IUPAC name of 2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane (CID 145142322) is 2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane.
What is the SMILES notation for 2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane?
The canonical SMILES for 2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane is CC.NC(Cc1c[nH]c2c(-c3ccccc3)cccc12)C(=O)O.
What is the InChIKey of 2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane?
The InChIKey is QPLZNZRKRSZCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2.C2H6/c18-15(17(20)21)9-12-10-19-16-13(7-4-8-14(12)16)11-5-2-1-3-6-11;1-2/h1-8,10,15,19H,9,18H2,(H,20,21);1-2H3.
What are the key properties of 2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane?
2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane has a molecular weight of 310.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(7-phenyl-1H-indol-3-yl)propanoic acid;ethane is sourced from PubChem (CID 145142322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).