3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid

C13H23N3O4 — CID 65224311

IUPAC3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid
SMILESCC(C)C(CNC(=O)NC1CCC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-8(2)10(12(18)19)6-14-13(20)15-9-4-5-11(17)16(3)7-9/h8-10H,4-7H2,1-3H3,(H,18,19)(H2,14,15,20)
InChIKeyVPPKSDJPNWSEIX-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.26
Rot. Bonds5

About 3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid

3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid (PubChem CID 65224311) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid
PubChem CID65224311
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid
SMILESCC(C)C(CNC(=O)NC1CCC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-8(2)10(12(18)19)6-14-13(20)15-9-4-5-11(17)16(3)7-9/h8-10H,4-7H2,1-3H3,(H,18,19)(H2,14,15,20)
InChIKeyVPPKSDJPNWSEIX-UHFFFAOYSA-N
XLogP0.26
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid (CID 65224311) is 3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid is CC(C)C(CNC(=O)NC1CCC(=O)N(C)C1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid?
The InChIKey is VPPKSDJPNWSEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-8(2)10(12(18)19)6-14-13(20)15-9-4-5-11(17)16(3)7-9/h8-10H,4-7H2,1-3H3,(H,18,19)(H2,14,15,20).
What are the key properties of 3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid?
3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid is sourced from PubChem (CID 65224311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).