(2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid

C13H19N3O3 — CID 79010063

IUPAC(2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid
SMILESCc1ccc(CNC(=O)N[C@@H](C(=O)O)C(C)C)cn1
InChIInChI=1S/C13H19N3O3/c1-8(2)11(12(17)18)16-13(19)15-7-10-5-4-9(3)14-6-10/h4-6,8,11H,7H2,1-3H3,(H,17,18)(H2,15,16,19)/t11-/m1/s1
InChIKeyCBBBPGYTWVSXPE-LLVKDONJSA-N
MW265.31 g/mol
LogP1.30
Rot. Bonds5

About (2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid

(2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid (PubChem CID 79010063) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid
PubChem CID79010063
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid
SMILESCc1ccc(CNC(=O)N[C@@H](C(=O)O)C(C)C)cn1
InChIInChI=1S/C13H19N3O3/c1-8(2)11(12(17)18)16-13(19)15-7-10-5-4-9(3)14-6-10/h4-6,8,11H,7H2,1-3H3,(H,17,18)(H2,15,16,19)/t11-/m1/s1
InChIKeyCBBBPGYTWVSXPE-LLVKDONJSA-N
XLogP1.30
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55139744
3-methyl-2-[[(6-methyl-3-pyridinyl)methylcarbamoylamino]methyl]butanoic acid
CID 65226600
(2S)-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 94913044
(2S)-2-[(4-ethylphenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 103995681
(2S)-4-amino-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63719043
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
3-methyl-2-(1H-pyrazol-4-ylmethylcarbamoylamino)butanoic acid
CID 54982274
2-[methyl-[(6-methyl-3-pyridinyl)methylcarbamoyl]amino]propanoic acid
CID 55139938
(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 30066832
3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
CID 61200194
3-methyl-2-[(3-methyl-4-pyridinyl)methylcarbamoylamino]butanoic acid
CID 114701387
2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 62996719

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid (CID 79010063) is (2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid is Cc1ccc(CNC(=O)N[C@@H](C(=O)O)C(C)C)cn1.
What is the InChIKey of (2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid?
The InChIKey is CBBBPGYTWVSXPE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)11(12(17)18)16-13(19)15-7-10-5-4-9(3)14-6-10/h4-6,8,11H,7H2,1-3H3,(H,17,18)(H2,15,16,19)/t11-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid?
(2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 79010063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).