carbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate

C7H12N2O6 — CID 87408643

IUPACcarbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO.NC(=O)NC(=O)O
InChIInChI=1S/C5H8O3.C2H4N2O3/c1-2-5(7)8-4-3-6;3-1(5)4-2(6)7/h2,6H,1,3-4H2;(H,6,7)(H3,3,4,5)
InChIKeySCWOAWCWNXLZGV-UHFFFAOYSA-N
MW220.18 g/mol
LogP-0.96
Rot. Bonds3

About carbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate

carbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate (PubChem CID 87408643) has the molecular formula C7H12N2O6 and a molecular weight of 220.18 g/mol. Its IUPAC name is carbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate.

Molecular Properties

Compound Namecarbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate
PubChem CID87408643
Molecular FormulaC7H12N2O6
Molecular Weight220.18 g/mol
Exact Mass220.07
IUPAC Namecarbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO.NC(=O)NC(=O)O
InChIInChI=1S/C5H8O3.C2H4N2O3/c1-2-5(7)8-4-3-6;3-1(5)4-2(6)7/h2,6H,1,3-4H2;(H,6,7)(H3,3,4,5)
InChIKeySCWOAWCWNXLZGV-UHFFFAOYSA-N
XLogP-0.96
TPSA138.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid;2-hydroxyethyl prop-2-enoate
CID 86757520
but-2-enedioic acid;2-hydroxyethyl prop-2-enoate
CID 173025199
2-aminoethanol;2-hydroxyethyl prop-2-enoate
CID 158127048
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
2-hydroxyethyl prop-2-enoate sulfate
CID 20566072
2-hydroxyethyl prop-2-enoate;isocyanic acid
CID 88778139
ethyl acetate;2-hydroxyethyl prop-2-enoate
CID 161101194
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
2-hydroxyethyl prop-2-enoate;prop-2-enenitrile
CID 87740530
sodium;ethenesulfonate;2-hydroxyethyl prop-2-enoate
CID 159658486
2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate
CID 173020025

Frequently Asked Questions

What is the IUPAC name of carbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate?
The IUPAC name of carbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate (CID 87408643) is carbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate.
What is the SMILES notation for carbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate?
The canonical SMILES for carbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate is C=CC(=O)OCCO.NC(=O)NC(=O)O.
What is the InChIKey of carbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate?
The InChIKey is SCWOAWCWNXLZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C2H4N2O3/c1-2-5(7)8-4-3-6;3-1(5)4-2(6)7/h2,6H,1,3-4H2;(H,6,7)(H3,3,4,5).
What are the key properties of carbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate?
carbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate has a molecular weight of 220.18 g/mol, XLogP of -0.96, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate is sourced from PubChem (CID 87408643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).