2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid

C15H28N2O3 — CID 63161983

IUPAC2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N1CCC(CC)(CC)CC1
InChIInChI=1S/C15H28N2O3/c1-4-9-17(12-13(18)19)14(20)16-10-7-15(5-2,6-3)8-11-16/h4-12H2,1-3H3,(H,18,19)
InChIKeyBLWSGIHFVIKSLP-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.81
Rot. Bonds6

About 2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid

2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid (PubChem CID 63161983) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid
PubChem CID63161983
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N1CCC(CC)(CC)CC1
InChIInChI=1S/C15H28N2O3/c1-4-9-17(12-13(18)19)14(20)16-10-7-15(5-2,6-3)8-11-16/h4-12H2,1-3H3,(H,18,19)
InChIKeyBLWSGIHFVIKSLP-UHFFFAOYSA-N
XLogP2.81
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
CID 63646841
N,N,4,4-tetraethylpiperidine-1-carboxamide
CID 116655861
2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid
CID 61191959
2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 63645830
2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid
CID 62967639
2-[(3-hydroxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 62944013
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 103536356
2-[(2-amino-2-oxoethyl)-(4-ethyl-4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107438703
1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124602
2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid
CID 61203406
2-[(4,4-dimethylpiperidine-1-carbonyl)-prop-2-ynylamino]acetic acid
CID 79283292
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid (CID 63161983) is 2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)N1CCC(CC)(CC)CC1.
What is the InChIKey of 2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid?
The InChIKey is BLWSGIHFVIKSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-9-17(12-13(18)19)14(20)16-10-7-15(5-2,6-3)8-11-16/h4-12H2,1-3H3,(H,18,19).
What are the key properties of 2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid?
2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 63161983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).