3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid

C14H25N3O4 — CID 107071850

IUPAC3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid
SMILESCC(C)NC(=O)C(C)NC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H25N3O4/c1-8(2)15-12(18)10(4)16-14(21)17-7-5-6-9(3)11(17)13(19)20/h8-11H,5-7H2,1-4H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyRJBURYHLIQZCFJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.79
Rot. Bonds4

About 3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid

3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid (PubChem CID 107071850) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid
PubChem CID107071850
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid
SMILESCC(C)NC(=O)C(C)NC(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H25N3O4/c1-8(2)15-12(18)10(4)16-14(21)17-7-5-6-9(3)11(17)13(19)20/h8-11H,5-7H2,1-4H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyRJBURYHLIQZCFJ-UHFFFAOYSA-N
XLogP0.79
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071445
1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071884
3-methyl-1-(1-methylsulfinylpropan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071891
3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071187
3-methyl-1-(pent-4-yn-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071880
1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069683
3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071599
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid
CID 78986525
3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 107071464
3-methyl-1-(1-piperidin-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 102782109
3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
CID 107068836
3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid
CID 107070014

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid (CID 107071850) is 3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid is CC(C)NC(=O)C(C)NC(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is RJBURYHLIQZCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-8(2)15-12(18)10(4)16-14(21)17-7-5-6-9(3)11(17)13(19)20/h8-11H,5-7H2,1-4H3,(H,15,18)(H,16,21)(H,19,20).
What are the key properties of 3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid?
3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107071850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).