3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid

C14H27N3O3 — CID 61190624

IUPAC3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
SMILESCN1CCC(N(C)C(=O)NC(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)11(12(18)19)15-13(20)17(5)10-6-8-16(4)9-7-10/h10-11H,6-9H2,1-5H3,(H,15,20)(H,18,19)
InChIKeyWDGUZDHGADOIFS-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.22
Rot. Bonds3

About 3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid

3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid (PubChem CID 61190624) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
PubChem CID61190624
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
SMILESCN1CCC(N(C)C(=O)NC(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)11(12(18)19)15-13(20)17(5)10-6-8-16(4)9-7-10/h10-11H,6-9H2,1-5H3,(H,15,20)(H,18,19)
InChIKeyWDGUZDHGADOIFS-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61189781
(2R)-3,3-dimethyl-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid
CID 113353161
4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 62479901
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61203080
(2R)-3,3-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 103928149
(2S)-2-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 114007115
(2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 46737712
(2R)-3,3-dimethyl-2-[(4-methylpiperazin-1-yl)carbamoylamino]butanoic acid
CID 103928248
(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927983
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61190976
2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 103495844
2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid
CID 115430777

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid (CID 61190624) is 3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid is CN1CCC(N(C)C(=O)NC(C(=O)O)C(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid?
The InChIKey is WDGUZDHGADOIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,3)11(12(18)19)15-13(20)17(5)10-6-8-16(4)9-7-10/h10-11H,6-9H2,1-5H3,(H,15,20)(H,18,19).
What are the key properties of 3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid?
3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 61190624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).