2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid

C12H20N2O5 — CID 125118927

IUPAC2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)[C@H]1CCN(C)C(=O)C1
InChIInChI=1S/C12H20N2O5/c1-13-4-3-9(7-10(13)15)12(18)14(5-6-19-2)8-11(16)17/h9H,3-8H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyCGBINCLBLYFLGQ-VIFPVBQESA-N
MW272.30 g/mol
LogP-0.59
Rot. Bonds6

About 2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid

2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid (PubChem CID 125118927) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid
PubChem CID125118927
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)[C@H]1CCN(C)C(=O)C1
InChIInChI=1S/C12H20N2O5/c1-13-4-3-9(7-10(13)15)12(18)14(5-6-19-2)8-11(16)17/h9H,3-8H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyCGBINCLBLYFLGQ-VIFPVBQESA-N
XLogP-0.59
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
CID 119194812
2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
CID 119193545
3-[methyl-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
CID 125150139
2-[2-methoxyethyl(thiane-4-carbonyl)amino]acetic acid
CID 119348007
2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
CID 61022712
(4S)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94471887
(4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 94168581
2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid
CID 115596423
2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 114608759
1-methyl-2-oxo-N-piperidin-4-yl-N-propylpiperidine-4-carboxamide;hydrochloride
CID 119825327
3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid
CID 82323958
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid (CID 125118927) is 2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)[C@H]1CCN(C)C(=O)C1.
What is the InChIKey of 2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid?
The InChIKey is CGBINCLBLYFLGQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2O5/c1-13-4-3-9(7-10(13)15)12(18)14(5-6-19-2)8-11(16)17/h9H,3-8H2,1-2H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid?
2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid has a molecular weight of 272.30 g/mol, XLogP of -0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 125118927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).