2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid

C12H23N3O4 — CID 79327977

IUPAC2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CN1CCC(N)CC1
InChIInChI=1S/C12H23N3O4/c1-19-7-6-15(9-12(17)18)11(16)8-14-4-2-10(13)3-5-14/h10H,2-9,13H2,1H3,(H,17,18)
InChIKeyFWKVMZYFYICYFU-UHFFFAOYSA-N
MW273.33 g/mol
LogP-1.03
Rot. Bonds7

About 2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid

2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 79327977) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID79327977
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CN1CCC(N)CC1
InChIInChI=1S/C12H23N3O4/c1-19-7-6-15(9-12(17)18)11(16)8-14-4-2-10(13)3-5-14/h10H,2-9,13H2,1H3,(H,17,18)
InChIKeyFWKVMZYFYICYFU-UHFFFAOYSA-N
XLogP-1.03
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 79327783
2-[2-methoxyethyl-(2-piperazin-1-ylacetyl)amino]acetic acid
CID 79271874
2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid
CID 79327827
2-(4-aminopiperidin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 79327859
2-(4-aminopiperidin-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide
CID 79327713
2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 79272643
1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone
CID 39290169
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 79270281
2-(4-aminopiperidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 43556875
1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one
CID 116593221
2-(4-aminopiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 43556819

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid (CID 79327977) is 2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is FWKVMZYFYICYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-19-7-6-15(9-12(17)18)11(16)8-14-4-2-10(13)3-5-14/h10H,2-9,13H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 273.33 g/mol, XLogP of -1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79327977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).