2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid

C13H20N2O5 — CID 79275776

IUPAC2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(CC(=O)OCC)C1CC1
InChIInChI=1S/C13H20N2O5/c1-3-7-14(8-11(16)17)13(19)15(10-5-6-10)9-12(18)20-4-2/h3,10H,1,4-9H2,2H3,(H,16,17)
InChIKeyXYFBVTIAMNCILL-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.71
Rot. Bonds8

About 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid

2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid (PubChem CID 79275776) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid
PubChem CID79275776
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(CC(=O)OCC)C1CC1
InChIInChI=1S/C13H20N2O5/c1-3-7-14(8-11(16)17)13(19)15(10-5-6-10)9-12(18)20-4-2/h3,10H,1,4-9H2,2H3,(H,16,17)
InChIKeyXYFBVTIAMNCILL-UHFFFAOYSA-N
XLogP0.71
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276905
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79275634
ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate
CID 115681468
ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate
CID 79506559
2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid
CID 61328078
2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79285413
2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid
CID 63644812
ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate
CID 78978796
ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate
CID 113331353
2-[[cyclopropylmethyl(methyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276638
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
ethyl 2-[cyclopropyl-(2-methoxyacetyl)amino]acetate
CID 61410290

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid (CID 79275776) is 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)N(CC(=O)OCC)C1CC1.
What is the InChIKey of 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid?
The InChIKey is XYFBVTIAMNCILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-3-7-14(8-11(16)17)13(19)15(10-5-6-10)9-12(18)20-4-2/h3,10H,1,4-9H2,2H3,(H,16,17).
What are the key properties of 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid?
2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid has a molecular weight of 284.31 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79275776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).