1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid

C13H23N3O4 — CID 63134105

IUPAC1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC(C)C(NC(N)=O)C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-8(2)9(15-12(14)20)10(17)16-6-4-5-13(3,7-16)11(18)19/h8-9H,4-7H2,1-3H3,(H,18,19)(H3,14,15,20)
InChIKeyZKCMMWNNPMWMIC-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.39
Rot. Bonds4

About 1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid

1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63134105) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63134105
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC(C)C(NC(N)=O)C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-8(2)9(15-12(14)20)10(17)16-6-4-5-13(3,7-16)11(18)19/h8-9H,4-7H2,1-3H3,(H,18,19)(H3,14,15,20)
InChIKeyZKCMMWNNPMWMIC-UHFFFAOYSA-N
XLogP0.39
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-hydroxy-3-methylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]urea
CID 115875377
1-[2-(carbamoylamino)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63125301
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956
1-[2-(aminomethyl)butanoyl]-3-methylpiperidine-3-carboxylic acid
CID 65228066
1-(3-amino-2-methoxypropanoyl)-3-methylpiperidine-3-carboxylic acid
CID 114145091
(3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 81118766
3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136058
1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63136050
1-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-3-methylpiperidine-3-carboxylic acid
CID 82964102
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
3-methyl-1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylic acid
CID 63133758

Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid (CID 63134105) is 1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid is CC(C)C(NC(N)=O)C(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is ZKCMMWNNPMWMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-8(2)9(15-12(14)20)10(17)16-6-4-5-13(3,7-16)11(18)19/h8-9H,4-7H2,1-3H3,(H,18,19)(H3,14,15,20).
What are the key properties of 1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid?
1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carbamoylamino)-3-methylbutanoyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63134105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).