2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid

C14H24N2O4 — CID 114412196

IUPAC2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
SMILESCOCC1=CCN(C(=O)NCC(C(=O)O)C(C)C)CC1
InChIInChI=1S/C14H24N2O4/c1-10(2)12(13(17)18)8-15-14(19)16-6-4-11(5-7-16)9-20-3/h4,10,12H,5-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyBVDBBIBZHNINPG-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.33
Rot. Bonds6

About 2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid

2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid (PubChem CID 114412196) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
PubChem CID114412196
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
SMILESCOCC1=CCN(C(=O)NCC(C(=O)O)C(C)C)CC1
InChIInChI=1S/C14H24N2O4/c1-10(2)12(13(17)18)8-15-14(19)16-6-4-11(5-7-16)9-20-3/h4,10,12H,5-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyBVDBBIBZHNINPG-UHFFFAOYSA-N
XLogP1.33
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401798
N-tert-butyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401800
(2S)-4-methoxy-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-oxobutanoic acid
CID 104921533
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107036253
(2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid
CID 107831161
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-one
CID 104921259
2-bromo-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 107905856
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114409760
4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid
CID 114412200
N-(2-chloroacetyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114412226
2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 106670775

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid (CID 114412196) is 2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid is COCC1=CCN(C(=O)NCC(C(=O)O)C(C)C)CC1.
What is the InChIKey of 2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid?
The InChIKey is BVDBBIBZHNINPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(2)12(13(17)18)8-15-14(19)16-6-4-11(5-7-16)9-20-3/h4,10,12H,5-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid?
2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 114412196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).