methyl N-[3-(2-aminooxyethyl)phenyl]carbamate

C10H14N2O3 — CID 117300253

IUPACmethyl N-[3-(2-aminooxyethyl)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(CCON)c1
InChIInChI=1S/C10H14N2O3/c1-14-10(13)12-9-4-2-3-8(7-9)5-6-15-11/h2-4,7H,5-6,11H2,1H3,(H,12,13)
InChIKeyOSXQKCOESSHLRX-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.30
Rot. Bonds4

About methyl N-[3-(2-aminooxyethyl)phenyl]carbamate

methyl N-[3-(2-aminooxyethyl)phenyl]carbamate (PubChem CID 117300253) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl N-[3-(2-aminooxyethyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(2-aminooxyethyl)phenyl]carbamate
PubChem CID117300253
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl N-[3-(2-aminooxyethyl)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(CCON)c1
InChIInChI=1S/C10H14N2O3/c1-14-10(13)12-9-4-2-3-8(7-9)5-6-15-11/h2-4,7H,5-6,11H2,1H3,(H,12,13)
InChIKeyOSXQKCOESSHLRX-UHFFFAOYSA-N
XLogP1.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate
CID 149287034
methyl N-(3-chlorophenyl)carbamate
CID 16529
tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate
CID 139689119
methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate
CID 54862261
methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate
CID 150640545
methyl N-[3-[(3-amino-2-methylpropanoyl)amino]phenyl]carbamate
CID 62670350
propyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309364
methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate
CID 60533219
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
2-propan-2-yloxyethyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309334
tert-butyl N-[3-(carbamoyloxymethyl)phenyl]carbamate
CID 174964106

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(2-aminooxyethyl)phenyl]carbamate?
The IUPAC name of methyl N-[3-(2-aminooxyethyl)phenyl]carbamate (CID 117300253) is methyl N-[3-(2-aminooxyethyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(2-aminooxyethyl)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(2-aminooxyethyl)phenyl]carbamate is COC(=O)Nc1cccc(CCON)c1.
What is the InChIKey of methyl N-[3-(2-aminooxyethyl)phenyl]carbamate?
The InChIKey is OSXQKCOESSHLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-10(13)12-9-4-2-3-8(7-9)5-6-15-11/h2-4,7H,5-6,11H2,1H3,(H,12,13).
What are the key properties of methyl N-[3-(2-aminooxyethyl)phenyl]carbamate?
methyl N-[3-(2-aminooxyethyl)phenyl]carbamate has a molecular weight of 210.23 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(2-aminooxyethyl)phenyl]carbamate is sourced from PubChem (CID 117300253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).