2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid

C15H27N3O4 — CID 119208888

IUPAC2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N(C)C(C)C(=O)O)C1
InChIInChI=1S/C15H27N3O4/c1-10(2)8-16-15(22)18-7-5-6-12(9-18)13(19)17(4)11(3)14(20)21/h10-12H,5-9H2,1-4H3,(H,16,22)(H,20,21)
InChIKeyODFQAGLRLXUQCX-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.00
Rot. Bonds5

About 2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid

2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 119208888) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
PubChem CID119208888
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Name2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N(C)C(C)C(=O)O)C1
InChIInChI=1S/C15H27N3O4/c1-10(2)8-16-15(22)18-7-5-6-12(9-18)13(19)17(4)11(3)14(20)21/h10-12H,5-9H2,1-4H3,(H,16,22)(H,20,21)
InChIKeyODFQAGLRLXUQCX-UHFFFAOYSA-N
XLogP1.00
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
CID 119358258
3-N-(3-amino-2,2-dimethylpropyl)-3-N-methyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 119654700
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119243904
3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119442831
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120650995
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide
CID 119531454
3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119561872
(3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid
CID 102907206
3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 119506996

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid (CID 119208888) is 2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid is CC(C)CNC(=O)N1CCCC(C(=O)N(C)C(C)C(=O)O)C1.
What is the InChIKey of 2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is ODFQAGLRLXUQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-10(2)8-16-15(22)18-7-5-6-12(9-18)13(19)17(4)11(3)14(20)21/h10-12H,5-9H2,1-4H3,(H,16,22)(H,20,21).
What are the key properties of 2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid?
2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 313.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119208888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).