methyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate

C6H10N2O4 — CID 137224264

IUPACmethyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate
SMILES[H]/N=C(N)/C(C(=O)OC)=C(\O)OC
InChIInChI=1S/C6H10N2O4/c1-11-5(9)3(4(7)8)6(10)12-2/h9H,1-2H3,(H3,7,8)/b5-3-
InChIKeyVISYQZRXSBAZGU-HYXAFXHYSA-N
MW174.16 g/mol
LogP-0.49
Rot. Bonds3

About methyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate

methyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate (PubChem CID 137224264) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is methyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate
PubChem CID137224264
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Namemethyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate
SMILES[H]/N=C(N)/C(C(=O)OC)=C(\O)OC
InChIInChI=1S/C6H10N2O4/c1-11-5(9)3(4(7)8)6(10)12-2/h9H,1-2H3,(H3,7,8)/b5-3-
InChIKeyVISYQZRXSBAZGU-HYXAFXHYSA-N
XLogP-0.49
TPSA105.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-hydroxy-3-methoxy-2-(N'-methylcarbamimidoyl)prop-2-enoate
CID 135484700
methyl (Z)-2-ethanimidoyl-3-hydroxybut-2-enoate
CID 135482629
methyl 2-ethanimidoyl-3-hydroxybut-2-enoate
CID 135420610
methyl (E)-2-(C-diethoxyphosphorylcarbonimidoyl)-3-hydroxy-3-methoxyprop-2-enoate
CID 135504669
methyl 3-hydroxy-3-methoxy-2-[N'-(2-methylpropyl)carbamimidoyl]prop-2-enoate
CID 135464020
methyl (2Z)-2-(1-hydroxyethylidene)-3-imino-4-methylpent-4-enoate
CID 177445289
methyl (Z)-2-amino-4-iminobut-2-enoate
CID 144672680
ethyl 2-amino-2-iminoacetate
CID 19017716
methyl (2Z)-3-amino-2-(fluoromethoxyimino)-3-iminopropanoate;hydrochloride
CID 139788943
methyl (Z)-3-hydroxy-2-(2,2,2-trifluoroethanimidoyl)but-2-enoate
CID 171703353
methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate
CID 15971438
methyl (E)-2-aminobut-2-enoate
CID 19894054

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate?
The IUPAC name of methyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate (CID 137224264) is methyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate?
The canonical SMILES for methyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate is [H]/N=C(N)/C(C(=O)OC)=C(\O)OC.
What is the InChIKey of methyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate?
The InChIKey is VISYQZRXSBAZGU-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H10N2O4/c1-11-5(9)3(4(7)8)6(10)12-2/h9H,1-2H3,(H3,7,8)/b5-3-.
What are the key properties of methyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate?
methyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate has a molecular weight of 174.16 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-carbamimidoyl-3-hydroxy-3-methoxyprop-2-enoate is sourced from PubChem (CID 137224264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).