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

C15H24N2O3 — CID 61013485

IUPAC2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C15H24N2O3/c1-2-16(11-15(19)20)10-14(18)17(13-8-9-13)12-6-4-3-5-7-12/h6,13H,2-5,7-11H2,1H3,(H,19,20)
InChIKeyMUXHVSATQGEVHX-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.84
Rot. Bonds7

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

2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid (PubChem CID 61013485) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid
PubChem CID61013485
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C15H24N2O3/c1-2-16(11-15(19)20)10-14(18)17(13-8-9-13)12-6-4-3-5-7-12/h6,13H,2-5,7-11H2,1H3,(H,19,20)
InChIKeyMUXHVSATQGEVHX-UHFFFAOYSA-N
XLogP1.84
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid (CID 61013485) is 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid is CCN(CC(=O)O)CC(=O)N(C1=CCCCC1)C1CC1.
What is the InChIKey of 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid?
The InChIKey is MUXHVSATQGEVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-16(11-15(19)20)10-14(18)17(13-8-9-13)12-6-4-3-5-7-12/h6,13H,2-5,7-11H2,1H3,(H,19,20).
What are the key properties of 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid?
2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid is sourced from PubChem (CID 61013485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).