3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid

C13H18N2O3 — CID 110836401

IUPAC3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid
SMILESCc1ccnc(C(=O)N(C)C(C)(C)CC(=O)O)c1
InChIInChI=1S/C13H18N2O3/c1-9-5-6-14-10(7-9)12(18)15(4)13(2,3)8-11(16)17/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyDNGDTULHADTRMG-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.72
Rot. Bonds4

About 3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid

3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid (PubChem CID 110836401) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid
PubChem CID110836401
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid
SMILESCc1ccnc(C(=O)N(C)C(C)(C)CC(=O)O)c1
InChIInChI=1S/C13H18N2O3/c1-9-5-6-14-10(7-9)12(18)15(4)13(2,3)8-11(16)17/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyDNGDTULHADTRMG-UHFFFAOYSA-N
XLogP1.72
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid
CID 110836392
3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid
CID 110836400
3,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-1-one
CID 55265069
N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide
CID 160549181
3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
CID 55295646
(3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
CID 130771167
2,2-difluoro-3-(4-methyl-2-pyridinyl)-3-oxopropanoic acid
CID 130501679
3-methyl-3-[methyl-[2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 110834679
3-[(3-chlorofuran-2-carbonyl)-methylamino]-3-methylbutanoic acid
CID 110836863
N-tert-butyl-4-cyano-N-methylpyridine-2-carboxamide
CID 115116804
N-(1-amino-2-methylpropan-2-yl)-4-methylpyridine-2-carboxamide
CID 110833934
3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid
CID 110837098

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid (CID 110836401) is 3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid is Cc1ccnc(C(=O)N(C)C(C)(C)CC(=O)O)c1.
What is the InChIKey of 3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid?
The InChIKey is DNGDTULHADTRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-5-6-14-10(7-9)12(18)15(4)13(2,3)8-11(16)17/h5-7H,8H2,1-4H3,(H,16,17).
What are the key properties of 3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid?
3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110836401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).