2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid

C16H28N2O5 — CID 120703197

IUPAC2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C1CCCN(C(=O)C(C)(C)C)C1)C(=O)O
InChIInChI=1S/C16H28N2O5/c1-16(2,3)15(22)18-8-5-6-11(10-18)13(19)17-12(14(20)21)7-9-23-4/h11-12H,5-10H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyYCGVNEONGUTTTD-UHFFFAOYSA-N
MW328.41 g/mol
LogP0.88
Rot. Bonds6

About 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid

2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid (PubChem CID 120703197) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid
PubChem CID120703197
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Name2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C1CCCN(C(=O)C(C)(C)C)C1)C(=O)O
InChIInChI=1S/C16H28N2O5/c1-16(2,3)15(22)18-8-5-6-11(10-18)13(19)17-12(14(20)21)7-9-23-4/h11-12H,5-10H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyYCGVNEONGUTTTD-UHFFFAOYSA-N
XLogP0.88
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic 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-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 120703250
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid
CID 81077471
2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 62478946
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120703129
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 119201566
4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81139656
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 94798800
1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid (CID 120703197) is 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid is COCCC(NC(=O)C1CCCN(C(=O)C(C)(C)C)C1)C(=O)O.
What is the InChIKey of 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid?
The InChIKey is YCGVNEONGUTTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-16(2,3)15(22)18-8-5-6-11(10-18)13(19)17-12(14(20)21)7-9-23-4/h11-12H,5-10H2,1-4H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid?
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid has a molecular weight of 328.41 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 120703197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).