2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid

C13H24N2O4 — CID 62820761

IUPAC2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N1CCC(OC)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-5-15(13(2,3)11(16)17)12(18)14-8-6-10(19-4)7-9-14/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyYFLWUHVPYRWSCE-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.40
Rot. Bonds4

About 2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid

2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62820761) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62820761
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N1CCC(OC)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-5-15(13(2,3)11(16)17)12(18)14-8-6-10(19-4)7-9-14/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyYFLWUHVPYRWSCE-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 62930846
2-[ethyl(1,4-oxazepane-4-carbonyl)amino]-2-methylpropanoic acid
CID 62967290
4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65297955
3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid
CID 61199548
2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 55123412
4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid
CID 43373246
2-[ethyl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-2-methylpropanoic acid
CID 114490393
1-(4-methoxypiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604331
4-(3-methoxypyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 103531279
N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95051739
2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77411608
2-[ethyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 62823516

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid (CID 62820761) is 2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid is CCN(C(=O)N1CCC(OC)CC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is YFLWUHVPYRWSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-15(13(2,3)11(16)17)12(18)14-8-6-10(19-4)7-9-14/h10H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62820761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).