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

C14H24N2O5 — CID 63646841

IUPAC2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
SMILESCCC1(CC)CCN(C(=O)N(CC(=O)O)CC(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-3-14(4-2)5-7-15(8-6-14)13(21)16(9-11(17)18)10-12(19)20/h3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJKWAWLMDMNBXIY-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.48
Rot. Bonds6

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

2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid (PubChem CID 63646841) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
PubChem CID63646841
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
SMILESCCC1(CC)CCN(C(=O)N(CC(=O)O)CC(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-3-14(4-2)5-7-15(8-6-14)13(21)16(9-11(17)18)10-12(19)20/h3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJKWAWLMDMNBXIY-UHFFFAOYSA-N
XLogP1.48
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid
CID 63161983
N,N,4,4-tetraethylpiperidine-1-carboxamide
CID 116655861
2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 63645830
2-[(2-amino-2-oxoethyl)-(4-ethyl-4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107438703
2-[carboxymethyl-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)amino]acetic acid
CID 107457557
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489
2-[(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-ethylamino]acetic acid
CID 107457328
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 81115479
2-[carboxymethyl-(1-oxo-1,4-thiazinane-4-carbonyl)amino]acetic acid
CID 63645978
2-[(4,4-dimethylpiperidine-1-carbonyl)-prop-2-ynylamino]acetic acid
CID 79283292
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
CID 91334879
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81116489

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid (CID 63646841) is 2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid is CCC1(CC)CCN(C(=O)N(CC(=O)O)CC(=O)O)CC1.
What is the InChIKey of 2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid?
The InChIKey is JKWAWLMDMNBXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-3-14(4-2)5-7-15(8-6-14)13(21)16(9-11(17)18)10-12(19)20/h3-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid?
2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid has a molecular weight of 300.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 63646841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).