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

C14H24N2O4 — CID 114412200

IUPAC4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid
SMILESCOCC1=CCN(C(=O)NC(C)(C)CCC(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2,7-4-12(17)18)15-13(19)16-8-5-11(6-9-16)10-20-3/h5H,4,6-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyFFRIXQISXLBALN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.62
Rot. Bonds6

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

4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 114412200) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid
PubChem CID114412200
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid
SMILESCOCC1=CCN(C(=O)NC(C)(C)CCC(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2,7-4-12(17)18)15-13(19)16-8-5-11(6-9-16)10-20-3/h5H,4,6-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyFFRIXQISXLBALN-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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

N-tert-butyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401800
4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401798
2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethoxy]acetic acid
CID 114408134
N-(3-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114412228
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 114409811
2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 114412196
N-(2-chloroacetyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114412226
(2R)-5-amino-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-oxopentanoic acid
CID 107831161
3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 114411887
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-1-one
CID 114409771
(2S)-4-methoxy-2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-oxobutanoic acid
CID 104921533
cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106320185

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid (CID 114412200) is 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid is COCC1=CCN(C(=O)NC(C)(C)CCC(=O)O)CC1.
What is the InChIKey of 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is FFRIXQISXLBALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,7-4-12(17)18)15-13(19)16-8-5-11(6-9-16)10-20-3/h5H,4,6-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid?
4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 114412200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).