2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate

C13H16N2O5 — CID 177169829

IUPAC2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)Nc1cc(NO)ccc1C
InChIInChI=1S/C13H16N2O5/c1-3-12(16)19-6-7-20-13(17)14-11-8-10(15-18)5-4-9(11)2/h3-5,8,15,18H,1,6-7H2,2H3,(H,14,17)
InChIKeyZMQNFMPCXZKNIG-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.07
Rot. Bonds6

About 2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate

2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate (PubChem CID 177169829) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate
PubChem CID177169829
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)Nc1cc(NO)ccc1C
InChIInChI=1S/C13H16N2O5/c1-3-12(16)19-6-7-20-13(17)14-11-8-10(15-18)5-4-9(11)2/h3-5,8,15,18H,1,6-7H2,2H3,(H,14,17)
InChIKeyZMQNFMPCXZKNIG-UHFFFAOYSA-N
XLogP2.07
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate 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

2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate
CID 177169834
2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate;methanol;molecular hydrogen
CID 177169833
2-[[2-methyl-5-[[2-methyl-2-[4-methyl-4-(methylcarbamoyloxy)pentan-2-yl]oxypropanoyl]amino]phenyl]carbamoyloxy]ethyl prop-2-enoate
CID 177169837
[2-[[2-methyl-5-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]phenyl]carbamoyloxymethyl]-5-oxo-2-(prop-2-enoyloxymethyl)hept-6-enyl] prop-2-enoate
CID 155621806
2-aminoethyl N-[3-(2-aminoethoxycarbonylamino)-4-methylphenyl]carbamate;ethane;molecular hydrogen
CID 156808117
ethane;2-[(4-ethylphenyl)carbamoyloxy]ethyl prop-2-enoate
CID 156746910
[2-[[3-methyl-4-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]carbonylamino]phenyl]carbamoyloxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 90262231
2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate
CID 59049064
2-azidoethyl N-[3-(2-azidoethoxycarbonylamino)-4-methylphenyl]carbamate
CID 90222016
2-hydroxy-5-(2-prop-2-enoyloxyethoxycarbonylamino)benzoic acid
CID 59042097
2-(4-methylanilino)ethyl prop-2-enoate
CID 155280082
(4-prop-2-enylcyclohexyl)methyl N-[2-methyl-5-[(4-prop-2-enylcyclohexyl)methoxycarbonylamino]phenyl]carbamate
CID 146341802

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate?
The IUPAC name of 2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate (CID 177169829) is 2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate is C=CC(=O)OCCOC(=O)Nc1cc(NO)ccc1C.
What is the InChIKey of 2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate?
The InChIKey is ZMQNFMPCXZKNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-3-12(16)19-6-7-20-13(17)14-11-8-10(15-18)5-4-9(11)2/h3-5,8,15,18H,1,6-7H2,2H3,(H,14,17).
What are the key properties of 2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate?
2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate has a molecular weight of 280.28 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate is sourced from PubChem (CID 177169829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).