2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid

C9H16N2O4 — CID 170916597

IUPAC2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
SMILESCOC(=O)CN1CCN(CC(=O)O)CC1
InChIInChI=1S/C9H16N2O4/c1-15-9(14)7-11-4-2-10(3-5-11)6-8(12)13/h2-7H2,1H3,(H,12,13)
InChIKeyCKXIGIRIXODZAZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.14
Rot. Bonds4

About 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid

2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid (PubChem CID 170916597) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
PubChem CID170916597
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
SMILESCOC(=O)CN1CCN(CC(=O)O)CC1
InChIInChI=1S/C9H16N2O4/c1-15-9(14)7-11-4-2-10(3-5-11)6-8(12)13/h2-7H2,1H3,(H,12,13)
InChIKeyCKXIGIRIXODZAZ-UHFFFAOYSA-N
XLogP-1.14
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 143494242
2-[7-(carboxymethyl)-4-(2-methoxy-2-oxoethyl)-10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118103312
2-[[2-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetic acid;ethane
CID 142357822
methyl 2-[10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]acetate
CID 22889204
2-[4,10-bis(2-methoxy-2-oxoethyl)-7-[2-oxo-2-(2-oxoethylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 139455281
methyl 2-[4,7-bis(2-methoxy-2-oxoethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 143494239
2-[4,10-bis(carboxymethyl)-7-(methoxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 90886776
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
methyl 2-morpholin-4-ylacetate
CID 1268178
2-[ethyl-[2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetic acid
CID 134552153
methyl 2-(6-azaspiro[2.5]octan-6-yl)acetate
CID 130684620
methyl 2-[4-(2-methoxy-2-oxoethyl)-7-(2-methylperoxyethyl)-1,4,7-triazonan-1-yl]acetate
CID 18740700

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid (CID 170916597) is 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid is COC(=O)CN1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid?
The InChIKey is CKXIGIRIXODZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-15-9(14)7-11-4-2-10(3-5-11)6-8(12)13/h2-7H2,1H3,(H,12,13).
What are the key properties of 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid?
2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid has a molecular weight of 216.24 g/mol, XLogP of -1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 170916597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).