2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid

C12H20N2O4 — CID 79277104

IUPAC2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)CC(=O)NC1CCOCC1
InChIInChI=1S/C12H20N2O4/c1-2-5-14(9-12(16)17)8-11(15)13-10-3-6-18-7-4-10/h2,10H,1,3-9H2,(H,13,15)(H,16,17)
InChIKeyULDXWAGQLONPIE-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.15
Rot. Bonds7

About 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid

2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid (PubChem CID 79277104) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
PubChem CID79277104
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)CC(=O)NC1CCOCC1
InChIInChI=1S/C12H20N2O4/c1-2-5-14(9-12(16)17)8-11(15)13-10-3-6-18-7-4-10/h2,10H,1,3-9H2,(H,13,15)(H,16,17)
InChIKeyULDXWAGQLONPIE-UHFFFAOYSA-N
XLogP-0.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276691
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide
CID 113237467
ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate
CID 78925035
N-cyclopentyl-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423369
N-(oxan-4-yl)but-3-enamide
CID 134356735
3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
CID 82327406
2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid
CID 61202948
4-[methyl-[2-(oxan-4-ylamino)-2-oxoethyl]amino]butanoic acid
CID 63097843
2-[[2-(2-acetylhydrazinyl)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276331
2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide
CID 63099178
2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide
CID 84572779
2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid
CID 79264786

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid (CID 79277104) is 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)CC(=O)NC1CCOCC1.
What is the InChIKey of 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid?
The InChIKey is ULDXWAGQLONPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-5-14(9-12(16)17)8-11(15)13-10-3-6-18-7-4-10/h2,10H,1,3-9H2,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid?
2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid has a molecular weight of 256.30 g/mol, XLogP of -0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79277104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).