5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid

C13H19N3O4 — CID 81082348

IUPAC5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid
SMILESCOCCCC(NC(=O)N(C)c1cccnc1)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-16(10-5-3-7-14-9-10)13(19)15-11(12(17)18)6-4-8-20-2/h3,5,7,9,11H,4,6,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVGCJMSFDEORHPE-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.11
Rot. Bonds7

About 5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid

5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid (PubChem CID 81082348) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid
PubChem CID81082348
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid
SMILESCOCCCC(NC(=O)N(C)c1cccnc1)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-16(10-5-3-7-14-9-10)13(19)15-11(12(17)18)6-4-8-20-2/h3,5,7,9,11H,4,6,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVGCJMSFDEORHPE-UHFFFAOYSA-N
XLogP1.11
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid
CID 81076986
5-methoxy-2-(pyridin-3-ylcarbamoylamino)pentanoic acid
CID 81086092
2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
CID 81085236
2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81085362
2-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]butanoic acid
CID 65226726
5-methoxy-2-[(2-pyridin-4-ylacetyl)amino]pentanoic acid
CID 81076913
5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 81082252
2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084763
5-methoxy-2-(pyrazin-2-ylamino)pentanoic acid
CID 81078260
(2S)-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]hexanoic acid
CID 107145948
4-methoxy-2-(1-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 62480423
2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid
CID 62474880

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid (CID 81082348) is 5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid is COCCCC(NC(=O)N(C)c1cccnc1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid?
The InChIKey is VGCJMSFDEORHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-16(10-5-3-7-14-9-10)13(19)15-11(12(17)18)6-4-8-20-2/h3,5,7,9,11H,4,6,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid?
5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 81082348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).