(2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid

C21H22N2O4 — CID 40637276

IUPAC(2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)O
InChIInChI=1S/C21H22N2O4/c1-2-3-10-16(21(26)27)22-19(24)13-23-17-11-6-4-8-14(17)20(25)15-9-5-7-12-18(15)23/h4-9,11-12,16H,2-3,10,13H2,1H3,(H,22,24)(H,26,27)/t16-/m0/s1
InChIKeyAPLYCWZJDINDJC-INIZCTEOSA-N
MW366.42 g/mol
LogP2.91
Rot. Bonds7

About (2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid

(2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid (PubChem CID 40637276) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid
PubChem CID40637276
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)O
InChIInChI=1S/C21H22N2O4/c1-2-3-10-16(21(26)27)22-19(24)13-23-17-11-6-4-8-14(17)20(25)15-9-5-7-12-18(15)23/h4-9,11-12,16H,2-3,10,13H2,1H3,(H,22,24)(H,26,27)/t16-/m0/s1
InChIKeyAPLYCWZJDINDJC-INIZCTEOSA-N
XLogP2.91
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide
CID 119666357
N-(2-methyl-1-phenylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16606060
2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid
CID 175969260
(2S)-2-[(2-anilinoacetyl)amino]hexanoic acid
CID 70096044
N-[2-(dimethylamino)-1-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 42883507
(2S)-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]hexanoic acid
CID 120615453
(2S)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid
CID 120614019
N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide
CID 119496675
(2S)-2-[(2-benzylsulfanylacetyl)amino]hexanoic acid
CID 107143903
N-[1-(4-fluorophenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46550695
(2S)-2-[[2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]hexanoic acid
CID 7657373
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 55502933

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid (CID 40637276) is (2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid is CCCC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid?
The InChIKey is APLYCWZJDINDJC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-2-3-10-16(21(26)27)22-19(24)13-23-17-11-6-4-8-14(17)20(25)15-9-5-7-12-18(15)23/h4-9,11-12,16H,2-3,10,13H2,1H3,(H,22,24)(H,26,27)/t16-/m0/s1.
What are the key properties of (2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid?
(2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid has a molecular weight of 366.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 40637276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).