2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid

C16H28N2O4 — CID 119205313

IUPAC2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C16H28N2O4/c1-5-8-17(11-13(19)20)14(21)12-7-6-9-18(10-12)15(22)16(2,3)4/h12H,5-11H2,1-4H3,(H,19,20)
InChIKeyKBXBHUQWSLIOKX-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.59
Rot. Bonds5

About 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid

2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid (PubChem CID 119205313) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid
PubChem CID119205313
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C16H28N2O4/c1-5-8-17(11-13(19)20)14(21)12-7-6-9-18(10-12)15(22)16(2,3)4/h12H,5-11H2,1-4H3,(H,19,20)
InChIKeyKBXBHUQWSLIOKX-UHFFFAOYSA-N
XLogP1.59
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 61007347
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide
CID 47998464
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802821
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
3-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228476
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
2-[(1-acetylpiperidine-3-carbonyl)-tert-butylamino]acetic acid
CID 79265924
ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate
CID 87031091

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid?
The IUPAC name of 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid (CID 119205313) is 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)C1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid?
The InChIKey is KBXBHUQWSLIOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-5-8-17(11-13(19)20)14(21)12-7-6-9-18(10-12)15(22)16(2,3)4/h12H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid?
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid has a molecular weight of 312.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid is sourced from PubChem (CID 119205313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).