(2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one

C17H18N2O3 — CID 157209438

IUPAC(2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one
SMILESC[C@H](N)C(=O)O.Cc1ccc2[nH]c3ccccc3c(=O)c2c1
InChIInChI=1S/C14H11NO.C3H7NO2/c1-9-6-7-13-11(8-9)14(16)10-4-2-3-5-12(10)15-13;1-2(4)3(5)6/h2-8H,1H3,(H,15,16);2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyARSLOUMQUWWJNO-WNQIDUERSA-N
MW298.34 g/mol
LogP2.41
Rot. Bonds1

About (2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one

(2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one (PubChem CID 157209438) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one
PubChem CID157209438
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one
SMILESC[C@H](N)C(=O)O.Cc1ccc2[nH]c3ccccc3c(=O)c2c1
InChIInChI=1S/C14H11NO.C3H7NO2/c1-9-6-7-13-11(8-9)14(16)10-4-2-3-5-12(10)15-13;1-2(4)3(5)6/h2-8H,1H3,(H,15,16);2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1
InChIKeyARSLOUMQUWWJNO-WNQIDUERSA-N
XLogP2.41
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,7-dimethyl-10H-acridin-9-one
CID 13293445
2-methyl-5,10-dihydroindolo[3,2-b]quinolin-11-one
CID 10681996
3,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59728395
7-methyl-5,10-dihydroindolo[3,2-b]quinolin-11-one
CID 10776936
1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine
CID 82023991
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
10H-acridin-9-one;ethane
CID 91525380
10H-acridin-9-one
CID 22753806
2-aminopropanoic acid;toluene
CID 18362169
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
2-methyl-5-propyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796157
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one?
The IUPAC name of (2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one (CID 157209438) is (2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one.
What is the SMILES notation for (2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one?
The canonical SMILES for (2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one is C[C@H](N)C(=O)O.Cc1ccc2[nH]c3ccccc3c(=O)c2c1.
What is the InChIKey of (2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one?
The InChIKey is ARSLOUMQUWWJNO-WNQIDUERSA-N. The full InChI is InChI=1S/C14H11NO.C3H7NO2/c1-9-6-7-13-11(8-9)14(16)10-4-2-3-5-12(10)15-13;1-2(4)3(5)6/h2-8H,1H3,(H,15,16);2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1.
What are the key properties of (2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one?
(2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one has a molecular weight of 298.34 g/mol, XLogP of 2.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one is sourced from PubChem (CID 157209438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).