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

C11H18N2O3 — CID 43466098

IUPAC2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCCN(C(=O)CNCC(=O)O)C1=CCCC1
InChIInChI=1S/C11H18N2O3/c1-2-13(9-5-3-4-6-9)10(14)7-12-8-11(15)16/h5,12H,2-4,6-8H2,1H3,(H,15,16)
InChIKeyWJZFIXQUHSHHEG-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.58
Rot. Bonds6

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

2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 43466098) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID43466098
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCCN(C(=O)CNCC(=O)O)C1=CCCC1
InChIInChI=1S/C11H18N2O3/c1-2-13(9-5-3-4-6-9)10(14)7-12-8-11(15)16/h5,12H,2-4,6-8H2,1H3,(H,15,16)
InChIKeyWJZFIXQUHSHHEG-UHFFFAOYSA-N
XLogP0.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid (CID 43466098) is 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid is CCN(C(=O)CNCC(=O)O)C1=CCCC1.
What is the InChIKey of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is WJZFIXQUHSHHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-13(9-5-3-4-6-9)10(14)7-12-8-11(15)16/h5,12H,2-4,6-8H2,1H3,(H,15,16).
What are the key properties of 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 226.28 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43466098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).