2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid

C15H24N2O3 — CID 79277011

IUPAC2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H24N2O3/c1-2-10-17(12-15(19)20)11-14(18)16-9-8-13-6-4-3-5-7-13/h2,6H,1,3-5,7-12H2,(H,16,18)(H,19,20)
InChIKeyQANVXIIDODUUHT-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.57
Rot. Bonds9

About 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid

2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid (PubChem CID 79277011) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid
PubChem CID79277011
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H24N2O3/c1-2-10-17(12-15(19)20)11-14(18)16-9-8-13-6-4-3-5-7-13/h2,6H,1,3-5,7-12H2,(H,16,18)(H,19,20)
InChIKeyQANVXIIDODUUHT-UHFFFAOYSA-N
XLogP1.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[tert-butyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid
CID 79262989
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 18196445
2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166263
2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166064
N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 62016038
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635191
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
CID 106173068

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid (CID 79277011) is 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)CC(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid?
The InChIKey is QANVXIIDODUUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-10-17(12-15(19)20)11-14(18)16-9-8-13-6-4-3-5-7-13/h2,6H,1,3-5,7-12H2,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid?
2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79277011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).