2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate

C9H14N2O3 — CID 57201487

IUPAC2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate
SMILESCC=C=C(C)C(=O)OCCNC(N)=O
InChIInChI=1S/C9H14N2O3/c1-3-4-7(2)8(12)14-6-5-11-9(10)13/h3H,5-6H2,1-2H3,(H3,10,11,13)
InChIKeyHCHINQFLQPYEMZ-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.32
Rot. Bonds4

About 2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate

2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate (PubChem CID 57201487) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate.

Molecular Properties

Compound Name2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate
PubChem CID57201487
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate
SMILESCC=C=C(C)C(=O)OCCNC(N)=O
InChIInChI=1S/C9H14N2O3/c1-3-4-7(2)8(12)14-6-5-11-9(10)13/h3H,5-6H2,1-2H3,(H3,10,11,13)
InChIKeyHCHINQFLQPYEMZ-UHFFFAOYSA-N
XLogP0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis[2-(carbamoylamino)ethyl] oxalate
CID 175560213
2-methylpropyl 2-methylpenta-2,3-dienoate
CID 174631316
2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate
CID 134458425
2-(carbamoylamino)ethyl 2-chloroacetate
CID 21179128
2-(3-oxobutoxy)ethylurea
CID 176664573
2-(carbamoylamino)ethyl (Z)-2-methylidenehenicos-12-enoate
CID 88523460
2-propan-2-yloxyethylurea
CID 22179539
2-(carbamoylamino)ethyl 2,2-dimethylbutanoate
CID 153178486
2-hydroxyethyl 2-methylhexa-2,3-dienoate
CID 175303335
2-(but-2-enoylamino)ethyl 2-methylidenebutanoate
CID 173154402
3-methoxypropylurea
CID 2064040
2-but-3-enoxyethylurea
CID 103852774

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate?
The IUPAC name of 2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate (CID 57201487) is 2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate.
What is the SMILES notation for 2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate?
The canonical SMILES for 2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate is CC=C=C(C)C(=O)OCCNC(N)=O.
What is the InChIKey of 2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate?
The InChIKey is HCHINQFLQPYEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-4-7(2)8(12)14-6-5-11-9(10)13/h3H,5-6H2,1-2H3,(H3,10,11,13).
What are the key properties of 2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate?
2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate has a molecular weight of 198.22 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate is sourced from PubChem (CID 57201487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).