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

C12H22N2O3 — CID 63162157

IUPAC2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
SMILESCCC1(CC)CCN(C(=O)NCC(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-3-12(4-2)5-7-14(8-6-12)11(17)13-9-10(15)16/h3-9H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyVRDJJRRMVYXTDY-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.68
Rot. Bonds4

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

2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid (PubChem CID 63162157) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
PubChem CID63162157
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
SMILESCCC1(CC)CCN(C(=O)NCC(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-3-12(4-2)5-7-14(8-6-12)11(17)13-9-10(15)16/h3-9H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyVRDJJRRMVYXTDY-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4,4-diethylazepane-1-carbonyl)amino]propanoic acid
CID 122018412
3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81068168
2-(azocane-1-carbonylamino)acetic acid
CID 43445649
1-[(2-amino-2-oxoethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126209
2-(morpholine-4-carbonylamino)acetic acid
CID 18917961
2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
CID 63646841
2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid
CID 62992600
N-[(1-ethylcyclopentyl)methyl]azepane-1-carboxamide
CID 113258029
3,3-diethyl-N-methylpyrrolidine-1-carboxamide
CID 115686572
2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid
CID 63161983
2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid
CID 54124814
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 63126473

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid (CID 63162157) is 2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid is CCC1(CC)CCN(C(=O)NCC(=O)O)CC1.
What is the InChIKey of 2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid?
The InChIKey is VRDJJRRMVYXTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-12(4-2)5-7-14(8-6-12)11(17)13-9-10(15)16/h3-9H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid?
2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 63162157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).