1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid

C11H19N3O4 — CID 113431131

IUPAC1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid
SMILESCC(C(=O)NC(N)=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-7(8(15)13-10(12)18)14-6-4-3-5-11(14,2)9(16)17/h7H,3-6H2,1-2H3,(H,16,17)(H3,12,13,15,18)
InChIKeyCRGGPGCLEFJEPV-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.10
Rot. Bonds3

About 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid

1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 113431131) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid
PubChem CID113431131
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid
SMILESCC(C(=O)NC(N)=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-7(8(15)13-10(12)18)14-6-4-3-5-11(14,2)9(16)17/h7H,3-6H2,1-2H3,(H,16,17)(H3,12,13,15,18)
InChIKeyCRGGPGCLEFJEPV-UHFFFAOYSA-N
XLogP-0.10
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid (CID 113431131) is 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid is CC(C(=O)NC(N)=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is CRGGPGCLEFJEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(8(15)13-10(12)18)14-6-4-3-5-11(14,2)9(16)17/h7H,3-6H2,1-2H3,(H,16,17)(H3,12,13,15,18).
What are the key properties of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid?
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 113431131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).