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

C15H29N3O3 — CID 115430777

IUPAC2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)N(C)C1CCN(C)CC1)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-5-15(6-2,13(19)20)11-16-14(21)18(4)12-7-9-17(3)10-8-12/h12H,5-11H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyFQNJCCNCELTNTA-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.61
Rot. Bonds6

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

2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid (PubChem CID 115430777) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid
PubChem CID115430777
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)N(C)C1CCN(C)CC1)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-5-15(6-2,13(19)20)11-16-14(21)18(4)12-7-9-17(3)10-8-12/h12H,5-11H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyFQNJCCNCELTNTA-UHFFFAOYSA-N
XLogP1.61
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid with MolForge

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Related Compounds

3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902528
3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902822
(2S)-2-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 114007115
2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113308752
3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308086
2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 115431112
3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108870291
1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115662998
2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 65297852
ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoate
CID 110465418
1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655575
3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61190624

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid (CID 115430777) is 2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid is CCC(CC)(CNC(=O)N(C)C1CCN(C)CC1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid?
The InChIKey is FQNJCCNCELTNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-5-15(6-2,13(19)20)11-16-14(21)18(4)12-7-9-17(3)10-8-12/h12H,5-11H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid?
2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid has a molecular weight of 299.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 115430777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).