2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid

C13H25N3O3 — CID 55002549

IUPAC2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN1CCC(N(C)C(=O)NC(C)(C)C(=O)O)CC1
InChIInChI=1S/C13H25N3O3/c1-5-16-8-6-10(7-9-16)15(4)12(19)14-13(2,3)11(17)18/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyIYRSOTLUGSISCR-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.98
Rot. Bonds4

About 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid

2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 55002549) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID55002549
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN1CCC(N(C)C(=O)NC(C)(C)C(=O)O)CC1
InChIInChI=1S/C13H25N3O3/c1-5-16-8-6-10(7-9-16)15(4)12(19)14-13(2,3)11(17)18/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyIYRSOTLUGSISCR-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490
2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82742753
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934557
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 61265369
4-[(1-ethylpiperidin-4-yl)-methylamino]-4-oxobutanoic acid
CID 43578327
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-2-methylpropanoic acid
CID 55128241
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265940
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61194709
2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61267134
2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61265168
2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803979

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid (CID 55002549) is 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid is CCN1CCC(N(C)C(=O)NC(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is IYRSOTLUGSISCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-5-16-8-6-10(7-9-16)15(4)12(19)14-13(2,3)11(17)18/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid?
2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 55002549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).