2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid

C12H22N2O3 — CID 62211166

IUPAC2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCC1CCCCN1
InChIInChI=1S/C12H22N2O3/c1-2-14(9-12(16)17)11(15)7-6-10-5-3-4-8-13-10/h10,13H,2-9H2,1H3,(H,16,17)
InChIKeyJVOXCDFCKGJDMI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.84
Rot. Bonds6

About 2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid

2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid (PubChem CID 62211166) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid
PubChem CID62211166
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCC1CCCCN1
InChIInChI=1S/C12H22N2O3/c1-2-14(9-12(16)17)11(15)7-6-10-5-3-4-8-13-10/h10,13H,2-9H2,1H3,(H,16,17)
InChIKeyJVOXCDFCKGJDMI-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-2-ylpropanamide
CID 62211639
N-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide
CID 55049291
3-(azepan-2-yl)propanoic acid
CID 69475849
N-ethyl-3-(oxolan-2-yl)-N-(piperidin-2-ylmethyl)propanamide
CID 106626168
3-piperidin-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 55211669
2-[ethyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913780
N-butyl-N-methyl-3-piperidin-2-ylpropanamide
CID 62210320
N-ethyl-N-(2-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62210137
N-methyl-N-phenyl-3-piperidin-2-ylpropanamide
CID 62211013
N-methyl-N-(oxan-2-ylmethyl)-3-piperidin-2-ylpropanamide
CID 62211472
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-2-ylpropanamide
CID 79314839

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid (CID 62211166) is 2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid is CCN(CC(=O)O)C(=O)CCC1CCCCN1.
What is the InChIKey of 2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid?
The InChIKey is JVOXCDFCKGJDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-14(9-12(16)17)11(15)7-6-10-5-3-4-8-13-10/h10,13H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid?
2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-piperidin-2-ylpropanoyl)amino]acetic acid is sourced from PubChem (CID 62211166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).