ethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate

C15H20N2O3 — CID 88907634

IUPACethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(/C(N)=N/O)cc1C1CC1
InChIInChI=1S/C15H20N2O3/c1-2-20-14(18)8-7-11-5-6-12(15(16)17-19)9-13(11)10-3-4-10/h5-6,9-10,19H,2-4,7-8H2,1H3,(H2,16,17)
InChIKeyDFFPTOJVLAOAIO-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.15
Rot. Bonds6

About ethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate

ethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate (PubChem CID 88907634) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate
PubChem CID88907634
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(/C(N)=N/O)cc1C1CC1
InChIInChI=1S/C15H20N2O3/c1-2-20-14(18)8-7-11-5-6-12(15(16)17-19)9-13(11)10-3-4-10/h5-6,9-10,19H,2-4,7-8H2,1H3,(H2,16,17)
InChIKeyDFFPTOJVLAOAIO-UHFFFAOYSA-N
XLogP2.15
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-3-[2-cyclopropyl-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]prop-2-enoate
CID 87390642
tert-butyl 3-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]propanoate
CID 140529784
tert-butyl 3-[4-(N'-hydroxycarbamimidoyl)-2-methylphenyl]propanoate
CID 86623613
ethyl 3-[4-(N'-hydroxycarbamimidoyl)-1H-indol-7-yl]propanoate
CID 149163527
ethyl 4-(N'-hydroxycarbamimidoyl)-2-methylbenzoate
CID 86637356
ethyl 3-(2-methylthiophen-3-yl)propanoate
CID 102837254
ethyl 4-(chloromethyl)-3-(3-ethoxy-3-oxopropyl)benzoate
CID 134649107
ethyl 4-(3-ethoxy-3-oxopropyl)-3-methylsulfanylbenzoate
CID 134642317
ethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641174
ethyl 5-[3-(3-ethoxy-3-oxopropyl)-4-hydroxyphenyl]-5-oxopentanoate
CID 54397227
ethyl 3-[[(3S)-1-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 10948832
ethyl 3-(4-bromo-2-methylphenyl)propanoate
CID 124705554

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate?
The IUPAC name of ethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate (CID 88907634) is ethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate is CCOC(=O)CCc1ccc(/C(N)=N/O)cc1C1CC1.
What is the InChIKey of ethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate?
The InChIKey is DFFPTOJVLAOAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-14(18)8-7-11-5-6-12(15(16)17-19)9-13(11)10-3-4-10/h5-6,9-10,19H,2-4,7-8H2,1H3,(H2,16,17).
What are the key properties of ethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate?
ethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate has a molecular weight of 276.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-cyclopropyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propanoate is sourced from PubChem (CID 88907634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).