2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid

C11H16N2O5 — CID 61328855

IUPAC2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESC=CCN(CC=C)C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C11H16N2O5/c1-3-5-13(6-4-2)11(17)12-9(14)7-18-8-10(15)16/h3-4H,1-2,5-8H2,(H,15,16)(H,12,14,17)
InChIKeyTYDKCBLODOKWTD-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.00
Rot. Bonds8

About 2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid

2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 61328855) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID61328855
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESC=CCN(CC=C)C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C11H16N2O5/c1-3-5-13(6-4-2)11(17)12-9(14)7-18-8-10(15)16/h3-4H,1-2,5-8H2,(H,15,16)(H,12,14,17)
InChIKeyTYDKCBLODOKWTD-UHFFFAOYSA-N
XLogP-0.00
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.00
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-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61329439
N-[bis(prop-2-enyl)carbamoyl]-3-chloropropanamide
CID 43145956
2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 55008818
2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61437723
3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea
CID 108910247
4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid
CID 103339539
2-[[2-[bis(prop-2-enyl)carbamoylamino]acetyl]amino]acetic acid
CID 61193722
2-[2-[[2-cyanopropyl(ethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 54988828
2-[2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61328470
4-[bis(prop-2-enyl)amino]-3,4-dioxobutanoic acid
CID 20633701
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-N-ethyl-N-prop-2-enylacetamide
CID 166930748
2-(carboxymethoxy)acetic acid;sulfane
CID 158807579

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid (CID 61328855) is 2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid is C=CCN(CC=C)C(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is TYDKCBLODOKWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-3-5-13(6-4-2)11(17)12-9(14)7-18-8-10(15)16/h3-4H,1-2,5-8H2,(H,15,16)(H,12,14,17).
What are the key properties of 2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid has a molecular weight of 256.26 g/mol, XLogP of -0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).