2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid

C12H20N2O3 — CID 43466028

IUPAC2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCCN(C(=O)CNCC(=O)O)C1=CCCCC1
InChIInChI=1S/C12H20N2O3/c1-2-14(10-6-4-3-5-7-10)11(15)8-13-9-12(16)17/h6,13H,2-5,7-9H2,1H3,(H,16,17)
InChIKeyVMIIQUCGKLLOEF-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.97
Rot. Bonds6

About 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid

2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 43466028) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID43466028
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCCN(C(=O)CNCC(=O)O)C1=CCCCC1
InChIInChI=1S/C12H20N2O3/c1-2-14(10-6-4-3-5-7-10)11(15)8-13-9-12(16)17/h6,13H,2-5,7-9H2,1H3,(H,16,17)
InChIKeyVMIIQUCGKLLOEF-UHFFFAOYSA-N
XLogP0.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid (CID 43466028) is 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid is CCN(C(=O)CNCC(=O)O)C1=CCCCC1.
What is the InChIKey of 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is VMIIQUCGKLLOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-14(10-6-4-3-5-7-10)11(15)8-13-9-12(16)17/h6,13H,2-5,7-9H2,1H3,(H,16,17).
What are the key properties of 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43466028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).