2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid

C13H22N2O6 — CID 115535207

IUPAC2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N1CCCC(C(=O)OC)C1
InChIInChI=1S/C13H22N2O6/c1-20-7-6-15(9-11(16)17)13(19)14-5-3-4-10(8-14)12(18)21-2/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyYBCQWFZXVJXIAI-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.02
Rot. Bonds6

About 2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 115535207) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID115535207
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N1CCCC(C(=O)OC)C1
InChIInChI=1S/C13H22N2O6/c1-20-7-6-15(9-11(16)17)13(19)14-5-3-4-10(8-14)12(18)21-2/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyYBCQWFZXVJXIAI-UHFFFAOYSA-N
XLogP0.02
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid
CID 79272734
2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61188372
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid
CID 63286603
N,N-bis(2-methoxyethyl)piperidine-1-carboxamide
CID 115578688
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 110465779
4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 115534957
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
5-(3-methoxycarbonylpiperidin-1-yl)-5-oxopentanoic acid
CID 115534000
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63066843

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 115535207) is 2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)N1CCCC(C(=O)OC)C1.
What is the InChIKey of 2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is YBCQWFZXVJXIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-20-7-6-15(9-11(16)17)13(19)14-5-3-4-10(8-14)12(18)21-2/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 115535207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).