2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid

C17H20N2O3 — CID 120517066

IUPAC2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)Cc1cccc2cccnc12)C(=O)O
InChIInChI=1S/C17H20N2O3/c1-3-9-17(2,16(21)22)19-14(20)11-13-7-4-6-12-8-5-10-18-15(12)13/h4-8,10H,3,9,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyPGVSDFFHEYKUDT-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.54
Rot. Bonds6

About 2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid

2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid (PubChem CID 120517066) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid
PubChem CID120517066
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)Cc1cccc2cccnc12)C(=O)O
InChIInChI=1S/C17H20N2O3/c1-3-9-17(2,16(21)22)19-14(20)11-13-7-4-6-12-8-5-10-18-15(12)13/h4-8,10H,3,9,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyPGVSDFFHEYKUDT-UHFFFAOYSA-N
XLogP2.54
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid
CID 43619541
2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid
CID 120516941
4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid
CID 120532391
2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
CID 119192178
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
N-(3,5-dimethylphenyl)-2-quinolin-8-ylacetamide
CID 51307005
2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119192194
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
ethyl 2-quinolin-8-ylacetate
CID 52562898
2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid
CID 83149658
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid (CID 120517066) is 2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid is CCCC(C)(NC(=O)Cc1cccc2cccnc12)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid?
The InChIKey is PGVSDFFHEYKUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-9-17(2,16(21)22)19-14(20)11-13-7-4-6-12-8-5-10-18-15(12)13/h4-8,10H,3,9,11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid?
2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 120517066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).