(2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid

C17H19ClN2O4 — CID 119363599

IUPAC(2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)COc1ccc(Cl)c2cccnc12)C(=O)O
InChIInChI=1S/C17H19ClN2O4/c1-10(2)8-13(17(22)23)20-15(21)9-24-14-6-5-12(18)11-4-3-7-19-16(11)14/h3-7,10,13H,8-9H2,1-2H3,(H,20,21)(H,22,23)/t13-/m1/s1
InChIKeyOVHSFTAYSCGDKT-CYBMUJFWSA-N
MW350.80 g/mol
LogP2.88
Rot. Bonds7

About (2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid

(2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid (PubChem CID 119363599) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is (2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid
PubChem CID119363599
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name(2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)COc1ccc(Cl)c2cccnc12)C(=O)O
InChIInChI=1S/C17H19ClN2O4/c1-10(2)8-13(17(22)23)20-15(21)9-24-14-6-5-12(18)11-4-3-7-19-16(11)14/h3-7,10,13H,8-9H2,1-2H3,(H,20,21)(H,22,23)/t13-/m1/s1
InChIKeyOVHSFTAYSCGDKT-CYBMUJFWSA-N
XLogP2.88
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
2-(5-chloroquinolin-8-yl)oxy-N-(1-methoxypropan-2-yl)acetamide
CID 51172403
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716466
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
CID 3865457
2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8716298
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515
N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
CID 55602763
2-(5-chloroquinolin-8-yl)oxyacetic acid;N-(3,4-dichlorophenyl)propanamide
CID 67383874
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363
2-(5-chloroquinolin-8-yl)oxy-N-(3,5-dimethoxyphenyl)acetamide
CID 8005978
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid (CID 119363599) is (2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)COc1ccc(Cl)c2cccnc12)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid?
The InChIKey is OVHSFTAYSCGDKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-10(2)8-13(17(22)23)20-15(21)9-24-14-6-5-12(18)11-4-3-7-19-16(11)14/h3-7,10,13H,8-9H2,1-2H3,(H,20,21)(H,22,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid?
(2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid has a molecular weight of 350.80 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119363599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).