2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene

C23H23NO5 — CID 175572663

IUPAC2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene
SMILESC1=Cc2cccc3cccc(c23)C1.CC(N)C(=O)O.O=C(O)c1ccccc1O
InChIInChI=1S/C13H10.C7H6O3.C3H7NO2/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;8-6-4-2-1-3-5(6)7(9)10;1-2(4)3(5)6/h1-8H,9H2;1-4,8H,(H,9,10);2H,4H2,1H3,(H,5,6)
InChIKeyQLHCMVLFVNDFNS-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.92
Rot. Bonds2

About 2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene

2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene (PubChem CID 175572663) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene.

Molecular Properties

Compound Name2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene
PubChem CID175572663
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene
SMILESC1=Cc2cccc3cccc(c23)C1.CC(N)C(=O)O.O=C(O)c1ccccc1O
InChIInChI=1S/C13H10.C7H6O3.C3H7NO2/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;8-6-4-2-1-3-5(6)7(9)10;1-2(4)3(5)6/h1-8H,9H2;1-4,8H,(H,9,10);2H,4H2,1H3,(H,5,6)
InChIKeyQLHCMVLFVNDFNS-UHFFFAOYSA-N
XLogP3.92
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene?
The IUPAC name of 2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene (CID 175572663) is 2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene.
What is the SMILES notation for 2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene?
The canonical SMILES for 2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene is C1=Cc2cccc3cccc(c23)C1.CC(N)C(=O)O.O=C(O)c1ccccc1O.
What is the InChIKey of 2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene?
The InChIKey is QLHCMVLFVNDFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C7H6O3.C3H7NO2/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;8-6-4-2-1-3-5(6)7(9)10;1-2(4)3(5)6/h1-8H,9H2;1-4,8H,(H,9,10);2H,4H2,1H3,(H,5,6).
What are the key properties of 2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene?
2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene has a molecular weight of 393.44 g/mol, XLogP of 3.92, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene is sourced from PubChem (CID 175572663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).