4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid

C13H25N3O4 — CID 62479901

IUPAC4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
SMILESCOCCC(NC(=O)N(C)C1CCN(C)CC1)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-15-7-4-10(5-8-15)16(2)13(19)14-11(12(17)18)6-9-20-3/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyUIKNWCVSYMWAOC-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.21
Rot. Bonds6

About 4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid

4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid (PubChem CID 62479901) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
PubChem CID62479901
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
SMILESCOCCC(NC(=O)N(C)C1CCN(C)CC1)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-15-7-4-10(5-8-15)16(2)13(19)14-11(12(17)18)6-9-20-3/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyUIKNWCVSYMWAOC-UHFFFAOYSA-N
XLogP0.21
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
CID 81086075
2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid
CID 102633263
(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107143266
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163
(2S)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 107827541
(2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 107827539
(2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107826352
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 63656361
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61189781
(2S)-5-amino-2-[[cyclopentyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61195271
2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 55076340

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid (CID 62479901) is 4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid is COCCC(NC(=O)N(C)C1CCN(C)CC1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid?
The InChIKey is UIKNWCVSYMWAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-15-7-4-10(5-8-15)16(2)13(19)14-11(12(17)18)6-9-20-3/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid?
4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 62479901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).