2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid

C16H27N3O4 — CID 119199669

IUPAC2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)C1CCN(C(=O)N2CCCC2)CC1)C(=O)O
InChIInChI=1S/C16H27N3O4/c1-3-16(2,14(21)22)17-13(20)12-6-10-19(11-7-12)15(23)18-8-4-5-9-18/h12H,3-11H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyPHJGNYNEQNJQCV-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.28
Rot. Bonds4

About 2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid

2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid (PubChem CID 119199669) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
PubChem CID119199669
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)C1CCN(C(=O)N2CCCC2)CC1)C(=O)O
InChIInChI=1S/C16H27N3O4/c1-3-16(2,14(21)22)17-13(20)12-6-10-19(11-7-12)15(23)18-8-4-5-9-18/h12H,3-11H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyPHJGNYNEQNJQCV-UHFFFAOYSA-N
XLogP1.28
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]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

Related Compounds

2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79792508
2-(azepane-1-carbonylamino)-2-methylbutanoic acid
CID 79793590
2-methyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79798226
2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methylbutanoic acid
CID 119199011
2-(cyclohex-3-ene-1-carbonylamino)-2-methylbutanoic acid
CID 79792304
(2S)-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 120615417
1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
CID 104629931
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
CID 43618865
2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119192353
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide
CID 61119214
2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
CID 119192417
2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 61262451

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid?
The IUPAC name of 2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid (CID 119199669) is 2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid is CCC(C)(NC(=O)C1CCN(C(=O)N2CCCC2)CC1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid?
The InChIKey is PHJGNYNEQNJQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-3-16(2,14(21)22)17-13(20)12-6-10-19(11-7-12)15(23)18-8-4-5-9-18/h12H,3-11H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid?
2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid has a molecular weight of 325.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 119199669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).