2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid

C10H18N2O4 — CID 61328994

IUPAC2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
SMILESCN1CCC(NC(=O)COCC(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c1-12-4-2-8(3-5-12)11-9(13)6-16-7-10(14)15/h8H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyDSLJKCRZVZUNEY-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.70
Rot. Bonds5

About 2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid

2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61328994) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
PubChem CID61328994
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
SMILESCN1CCC(NC(=O)COCC(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c1-12-4-2-8(3-5-12)11-9(13)6-16-7-10(14)15/h8H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyDSLJKCRZVZUNEY-UHFFFAOYSA-N
XLogP-0.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid
CID 60706988
2-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 90442595
N-(1-cyclopropylpiperidin-4-yl)-2-ethoxyacetamide
CID 60730874
2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 115164987
2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid
CID 61329813
2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethoxy]acetic acid
CID 61328036
2-[(1-methylpiperidin-4-yl)amino]-2-oxoacetic acid
CID 43444893
2-(2-ethoxyphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 86907088
methyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 47488724
N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide
CID 110463372
3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 115035177
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 61198226

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid (CID 61328994) is 2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid is CN1CCC(NC(=O)COCC(=O)O)CC1.
What is the InChIKey of 2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is DSLJKCRZVZUNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-12-4-2-8(3-5-12)11-9(13)6-16-7-10(14)15/h8H,2-7H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).