2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid

C11H20N2O3 — CID 104596700

IUPAC2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1(C)CCCCN1
InChIInChI=1S/C11H20N2O3/c1-3-13(8-9(14)15)10(16)11(2)6-4-5-7-12-11/h12H,3-8H2,1-2H3,(H,14,15)
InChIKeyFPTKKRSVXSLSTO-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds4

About 2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid

2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid (PubChem CID 104596700) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid
PubChem CID104596700
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1(C)CCCCN1
InChIInChI=1S/C11H20N2O3/c1-3-13(8-9(14)15)10(16)11(2)6-4-5-7-12-11/h12H,3-8H2,1-2H3,(H,14,15)
InChIKeyFPTKKRSVXSLSTO-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-N-(2-methylbutyl)piperidine-2-carboxamide
CID 113368651
2-[2-methoxyethyl-(2-methylpyrrolidine-2-carbonyl)amino]acetic acid
CID 79271494
2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63142548
N,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide
CID 104596505
N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide
CID 104596127
2-[(1,1-dioxothiolan-3-yl)-(2-methylpiperidine-2-carbonyl)amino]acetic acid
CID 104596593
N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpiperidine-2-carboxamide
CID 104596433
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpiperidine-2-carboxamide
CID 113467728
N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpiperidine-2-carboxamide
CID 104596688
N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide
CID 104597142
N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 104596442
N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide
CID 104596534

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid (CID 104596700) is 2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)C1(C)CCCCN1.
What is the InChIKey of 2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid?
The InChIKey is FPTKKRSVXSLSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-13(8-9(14)15)10(16)11(2)6-4-5-7-12-11/h12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid?
2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 104596700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).