2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid

C13H19N3O3 — CID 55206343

IUPAC2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NCc1ncccc1C
InChIInChI=1S/C13H19N3O3/c1-4-11(12(17)18)16(3)13(19)15-8-10-9(2)6-5-7-14-10/h5-7,11H,4,8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyFWVOJPXGQCKEOS-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.39
Rot. Bonds5

About 2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid

2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid (PubChem CID 55206343) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid
PubChem CID55206343
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NCc1ncccc1C
InChIInChI=1S/C13H19N3O3/c1-4-11(12(17)18)16(3)13(19)15-8-10-9(2)6-5-7-14-10/h5-7,11H,4,8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyFWVOJPXGQCKEOS-UHFFFAOYSA-N
XLogP1.39
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
2-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
CID 55205366
2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 107438737
2-methyl-3-[(3-methyl-2-pyridinyl)methylcarbamoylamino]propanoic acid
CID 55205966
(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide
CID 63306281
2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
CID 82873693
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 63306151
2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid
CID 115431161
2-[(2-chloro-6-methylphenyl)carbamoyl-methylamino]butanoic acid
CID 66253516
3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 55206150
1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111121213
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid (CID 55206343) is 2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid is CCC(C(=O)O)N(C)C(=O)NCc1ncccc1C.
What is the InChIKey of 2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid?
The InChIKey is FWVOJPXGQCKEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-11(12(17)18)16(3)13(19)15-8-10-9(2)6-5-7-14-10/h5-7,11H,4,8H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid?
2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 55206343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).