2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid

C15H25N3O4 — CID 138005412

IUPAC2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid
SMILESCN(C)C(=O)N1CCC(C(=O)N(CC(=O)O)C2CCC2)CC1
InChIInChI=1S/C15H25N3O4/c1-16(2)15(22)17-8-6-11(7-9-17)14(21)18(10-13(19)20)12-4-3-5-12/h11-12H,3-10H2,1-2H3,(H,19,20)
InChIKeyAEGWCQFBIDRYKZ-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.85
Rot. Bonds4

About 2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid

2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid (PubChem CID 138005412) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid
PubChem CID138005412
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid
SMILESCN(C)C(=O)N1CCC(C(=O)N(CC(=O)O)C2CCC2)CC1
InChIInChI=1S/C15H25N3O4/c1-16(2)15(22)17-8-6-11(7-9-17)14(21)18(10-13(19)20)12-4-3-5-12/h11-12H,3-10H2,1-2H3,(H,19,20)
InChIKeyAEGWCQFBIDRYKZ-UHFFFAOYSA-N
XLogP0.85
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid
CID 60826561
2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid
CID 62627270
2-[cyclopropyl(piperidine-1-carbonyl)amino]acetic acid
CID 61183378
2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119136399
2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid
CID 43356245
2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid
CID 83266595
4-N,4-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 61233622
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate
CID 61383495
2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
CID 119194812
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid
CID 75418047
2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-methylamino]propanoic acid
CID 83265684

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid (CID 138005412) is 2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid is CN(C)C(=O)N1CCC(C(=O)N(CC(=O)O)C2CCC2)CC1.
What is the InChIKey of 2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid?
The InChIKey is AEGWCQFBIDRYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-16(2)15(22)17-8-6-11(7-9-17)14(21)18(10-13(19)20)12-4-3-5-12/h11-12H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid?
2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid has a molecular weight of 311.38 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 138005412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).