2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid

C14H27N3O3 — CID 62547381

IUPAC2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)N(C)C1CCCN(C)C1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-5-8-14(2,12(18)19)15-13(20)17(4)11-7-6-9-16(3)10-11/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyURZYYLSXSMXDHC-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.37
Rot. Bonds5

About 2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid

2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid (PubChem CID 62547381) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
PubChem CID62547381
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)N(C)C1CCCN(C)C1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-5-8-14(2,12(18)19)15-13(20)17(4)11-7-6-9-16(3)10-11/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyURZYYLSXSMXDHC-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61194709
2-ethyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 79804578
2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid
CID 61223431
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563
2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid
CID 102633457
2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoic acid
CID 82820537
4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
CID 115156994
3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
CID 62547194
1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655575
2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490
2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide
CID 114328609
2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 63706063

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid (CID 62547381) is 2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid is CCCC(C)(NC(=O)N(C)C1CCCN(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid?
The InChIKey is URZYYLSXSMXDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-8-14(2,12(18)19)15-13(20)17(4)11-7-6-9-16(3)10-11/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid?
2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 62547381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).