(2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid

C20H23N3O4 — CID 129260616

IUPAC(2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid
SMILESCN1C[C@H](C(=O)N[C@](C)(O)C(=O)O)C=C2c3cccc4[nH]cc(c34)C[C@]21C
InChIInChI=1S/C20H23N3O4/c1-19-8-12-9-21-15-6-4-5-13(16(12)15)14(19)7-11(10-23(19)3)17(24)22-20(2,27)18(25)26/h4-7,9,11,21,27H,8,10H2,1-3H3,(H,22,24)(H,25,26)/t11-,19-,20-/m1/s1
InChIKeyLYMFGMUENKZGCK-HDZZMESHSA-N
MW369.42 g/mol
LogP1.34
Rot. Bonds3

About (2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid

(2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid (PubChem CID 129260616) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid
PubChem CID129260616
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid
SMILESCN1C[C@H](C(=O)N[C@](C)(O)C(=O)O)C=C2c3cccc4[nH]cc(c34)C[C@]21C
InChIInChI=1S/C20H23N3O4/c1-19-8-12-9-21-15-6-4-5-13(16(12)15)14(19)7-11(10-23(19)3)17(24)22-20(2,27)18(25)26/h4-7,9,11,21,27H,8,10H2,1-3H3,(H,22,24)(H,25,26)/t11-,19-,20-/m1/s1
InChIKeyLYMFGMUENKZGCK-HDZZMESHSA-N
XLogP1.34
TPSA105.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 166038736
[(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
CID 166092004
(9R)-5-bromo-6a,7-dimethyl-N-pentan-3-yl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 172577857
(6aR,9R)-N,N-diethyl-6a-methyl-7-[(3-methylphenyl)methyl]-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 172578083
(9R)-N-butan-2-yl-5-fluoro-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 171536881
(9R)-N,N-diethyl-7-[(2-methoxyphenyl)methyl]-6a-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 171536868
(6aS,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
CID 102031246
9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine
CID 155461665
(6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 94654100
7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid;hydrate
CID 23333323
N-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 78302734
(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methylsulfanylmethane
CID 174364920

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid (CID 129260616) is (2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid is CN1C[C@H](C(=O)N[C@](C)(O)C(=O)O)C=C2c3cccc4[nH]cc(c34)C[C@]21C.
What is the InChIKey of (2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid?
The InChIKey is LYMFGMUENKZGCK-HDZZMESHSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-19-8-12-9-21-15-6-4-5-13(16(12)15)14(19)7-11(10-23(19)3)17(24)22-20(2,27)18(25)26/h4-7,9,11,21,27H,8,10H2,1-3H3,(H,22,24)(H,25,26)/t11-,19-,20-/m1/s1.
What are the key properties of (2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid?
(2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid has a molecular weight of 369.42 g/mol, XLogP of 1.34, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 129260616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).