2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid

C14H25N3O4 — CID 83199719

IUPAC2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid
SMILESCNC(=O)CCNC(=O)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-14(2,12(19)20)10-5-4-8-17(9-10)13(21)16-7-6-11(18)15-3/h10H,4-9H2,1-3H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyKGUMSVHCEHCPPG-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.65
Rot. Bonds5

About 2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid

2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid (PubChem CID 83199719) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid
PubChem CID83199719
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid
SMILESCNC(=O)CCNC(=O)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-14(2,12(19)20)10-5-4-8-17(9-10)13(21)16-7-6-11(18)15-3/h10H,4-9H2,1-3H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyKGUMSVHCEHCPPG-UHFFFAOYSA-N
XLogP0.65
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(but-3-ynylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198220
2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197298
2-methyl-2-[1-(3-methylsulfanylpropylcarbamoyl)piperidin-3-yl]propanoic acid
CID 83198070
2-[1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199818
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-methyl-2-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]propanoic acid
CID 83197951
3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62211698
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197354
2-[1-(hex-1-yn-3-ylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 106232610
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198528
2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 104553178

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid (CID 83199719) is 2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid is CNC(=O)CCNC(=O)N1CCCC(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid?
The InChIKey is KGUMSVHCEHCPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-14(2,12(19)20)10-5-4-8-17(9-10)13(21)16-7-6-11(18)15-3/h10H,4-9H2,1-3H3,(H,15,18)(H,16,21)(H,19,20).
What are the key properties of 2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid?
2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83199719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).