2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid

C16H20N2O2 — CID 43619541

IUPAC2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid
SMILESCCCC(C)(NCc1cccc2cccnc12)C(=O)O
InChIInChI=1S/C16H20N2O2/c1-3-9-16(2,15(19)20)18-11-13-7-4-6-12-8-5-10-17-14(12)13/h4-8,10,18H,3,9,11H2,1-2H3,(H,19,20)
InChIKeyCIYOYMBBMGAFGO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.97
Rot. Bonds6

About 2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid

2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid (PubChem CID 43619541) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid
PubChem CID43619541
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid
SMILESCCCC(C)(NCc1cccc2cccnc12)C(=O)O
InChIInChI=1S/C16H20N2O2/c1-3-9-16(2,15(19)20)18-11-13-7-4-6-12-8-5-10-17-14(12)13/h4-8,10,18H,3,9,11H2,1-2H3,(H,19,20)
InChIKeyCIYOYMBBMGAFGO-UHFFFAOYSA-N
XLogP2.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid
CID 120517066
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol
CID 103993618
2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619758
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
2-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpentanoic acid
CID 114489048
4-(quinolin-8-ylmethylamino)benzoic acid
CID 43321603
2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81426473
2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid
CID 120516941
3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427105
2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid
CID 65055782
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid (CID 43619541) is 2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid is CCCC(C)(NCc1cccc2cccnc12)C(=O)O.
What is the InChIKey of 2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid?
The InChIKey is CIYOYMBBMGAFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-9-16(2,15(19)20)18-11-13-7-4-6-12-8-5-10-17-14(12)13/h4-8,10,18H,3,9,11H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid?
2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid has a molecular weight of 272.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid is sourced from PubChem (CID 43619541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).