3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid

C15H28N2O3 — CID 62933528

IUPAC3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCCCN1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-15(2,12-14(19)20)11-13(18)16-7-6-10-17-8-4-3-5-9-17/h3-12H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyRZOLAWRSTPDFDQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.87
Rot. Bonds8

About 3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid

3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid (PubChem CID 62933528) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
PubChem CID62933528
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCCCN1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-15(2,12-14(19)20)11-13(18)16-7-6-10-17-8-4-3-5-9-17/h3-12H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyRZOLAWRSTPDFDQ-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic 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

3,3-dimethyl-5-oxo-5-(3-piperazin-1-ylpropylamino)pentanoic acid
CID 62935271
5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 43579827
3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide
CID 60851294
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593
2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 114327405
3-chloro-N-(3-piperidin-1-ylpropyl)propanamide
CID 43346643
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2225348
4-[2-(azepan-1-yl)ethylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61241356
2-oxo-N-(3-piperidin-1-ylpropyl)propanamide
CID 121311935

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid?
The IUPAC name of 3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid (CID 62933528) is 3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid is CC(C)(CC(=O)O)CC(=O)NCCCN1CCCCC1.
What is the InChIKey of 3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid?
The InChIKey is RZOLAWRSTPDFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,12-14(19)20)11-13(18)16-7-6-10-17-8-4-3-5-9-17/h3-12H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid?
3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid is sourced from PubChem (CID 62933528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).