1-(carbamoylamino)ethyl prop-2-enoate

C6H10N2O3 — CID 22146186

IUPAC1-(carbamoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)NC(N)=O
InChIInChI=1S/C6H10N2O3/c1-3-5(9)11-4(2)8-6(7)10/h3-4H,1H2,2H3,(H3,7,8,10)
InChIKeyPOFUDMKIZAMFSQ-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.27
Rot. Bonds3

About 1-(carbamoylamino)ethyl prop-2-enoate

1-(carbamoylamino)ethyl prop-2-enoate (PubChem CID 22146186) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 1-(carbamoylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name1-(carbamoylamino)ethyl prop-2-enoate
PubChem CID22146186
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name1-(carbamoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)NC(N)=O
InChIInChI=1S/C6H10N2O3/c1-3-5(9)11-4(2)8-6(7)10/h3-4H,1H2,2H3,(H3,7,8,10)
InChIKeyPOFUDMKIZAMFSQ-UHFFFAOYSA-N
XLogP-0.27
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(carbamoylamino)propyl prop-2-enoate
CID 87391559
1-ethenoxyethylurea
CID 19078685
1-(ethylidenecarbamoylamino)ethyl prop-2-enoate
CID 174667528
1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate
CID 141386439
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1-(2,2-dimethylpropylamino)ethyl prop-2-enoate
CID 22901740
5-hydrazinylpentan-2-yl prop-2-enoate
CID 139644736
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
(2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate
CID 87299763
1-sulfamoylethyl prop-2-enoate
CID 19880963
1-hydroxyethyl prop-2-enoate;2-methylprop-2-enamide;prop-2-enamide
CID 88701752

Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)ethyl prop-2-enoate?
The IUPAC name of 1-(carbamoylamino)ethyl prop-2-enoate (CID 22146186) is 1-(carbamoylamino)ethyl prop-2-enoate.
What is the SMILES notation for 1-(carbamoylamino)ethyl prop-2-enoate?
The canonical SMILES for 1-(carbamoylamino)ethyl prop-2-enoate is C=CC(=O)OC(C)NC(N)=O.
What is the InChIKey of 1-(carbamoylamino)ethyl prop-2-enoate?
The InChIKey is POFUDMKIZAMFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-3-5(9)11-4(2)8-6(7)10/h3-4H,1H2,2H3,(H3,7,8,10).
What are the key properties of 1-(carbamoylamino)ethyl prop-2-enoate?
1-(carbamoylamino)ethyl prop-2-enoate has a molecular weight of 158.16 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)ethyl prop-2-enoate is sourced from PubChem (CID 22146186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).