2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid

C13H18N2O3 — CID 20689264

IUPAC2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid
SMILESCc1cc(CCCC(=O)N(C)CC(=O)O)ccn1
InChIInChI=1S/C13H18N2O3/c1-10-8-11(6-7-14-10)4-3-5-12(16)15(2)9-13(17)18/h6-8H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyXZTDQDZKTGJNHV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.26
Rot. Bonds6

About 2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid

2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid (PubChem CID 20689264) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid
PubChem CID20689264
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid
SMILESCc1cc(CCCC(=O)N(C)CC(=O)O)ccn1
InChIInChI=1S/C13H18N2O3/c1-10-8-11(6-7-14-10)4-3-5-12(16)15(2)9-13(17)18/h6-8H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyXZTDQDZKTGJNHV-UHFFFAOYSA-N
XLogP1.26
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,5-dimethylphenyl)butanoyl-methylamino]acetic acid
CID 98017340
2-[5-(4-iodophenyl)pentanoyl-methylamino]acetic acid
CID 119346304
2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid
CID 23396943
2-[3-(4-bromo-3-methylphenyl)propanoyl-methylamino]acetic acid
CID 119346438
4-butyl-2-methylpyridine;hydrobromide
CID 173184435
2-[5-(2,5-dimethylphenoxy)pentanoyl-methylamino]acetic acid
CID 119172218
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
2-methyl-4-propylpyridine
CID 3358679
2-[4-(3,4-dichlorophenyl)butanoyl-ethylamino]acetic acid
CID 119205864
2-[methyl-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]amino]acetic acid
CID 119346315
2-[methyl-[3-(4-methylphenoxy)propanoyl]amino]acetic acid
CID 43239733
2-[4-(4-fluorophenoxy)butanoyl-methylamino]acetic acid
CID 43356123

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid (CID 20689264) is 2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid is Cc1cc(CCCC(=O)N(C)CC(=O)O)ccn1.
What is the InChIKey of 2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid?
The InChIKey is XZTDQDZKTGJNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10-8-11(6-7-14-10)4-3-5-12(16)15(2)9-13(17)18/h6-8H,3-5,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid?
2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid is sourced from PubChem (CID 20689264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).