(4-aminophenyl) 2-carbamoyloxyacetate

C9H10N2O4 — CID 67980081

IUPAC(4-aminophenyl) 2-carbamoyloxyacetate
SMILESNC(=O)OCC(=O)Oc1ccc(N)cc1
InChIInChI=1S/C9H10N2O4/c10-6-1-3-7(4-2-6)15-8(12)5-14-9(11)13/h1-4H,5,10H2,(H2,11,13)
InChIKeyMOQOUNSVTCWPHC-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.27
Rot. Bonds3

About (4-aminophenyl) 2-carbamoyloxyacetate

(4-aminophenyl) 2-carbamoyloxyacetate (PubChem CID 67980081) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is (4-aminophenyl) 2-carbamoyloxyacetate.

Molecular Properties

Compound Name(4-aminophenyl) 2-carbamoyloxyacetate
PubChem CID67980081
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name(4-aminophenyl) 2-carbamoyloxyacetate
SMILESNC(=O)OCC(=O)Oc1ccc(N)cc1
InChIInChI=1S/C9H10N2O4/c10-6-1-3-7(4-2-6)15-8(12)5-14-9(11)13/h1-4H,5,10H2,(H2,11,13)
InChIKeyMOQOUNSVTCWPHC-UHFFFAOYSA-N
XLogP0.27
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-aminophenyl) 2-[2-(4-aminophenoxy)-2-oxoethoxy]acetate
CID 25234030
[2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate
CID 124783567
(4-aminophenyl) hexadecanoate
CID 12781238
(4-aminophenyl) 6-(4-aminophenoxy)hexanoate
CID 86294322
(4-aminophenyl) (2S)-2-amino-3-hydroxypropanoate
CID 175246483
(4-aminophenyl) N,N-dimethylcarbamate
CID 21427559
(4-aminophenyl) 2-methylpropanoate;hydrochloride
CID 174366284
bis(4-aminophenyl) benzene-1,2-dicarboxylate
CID 20517221
bis[2-(4-methylphenoxy)-2-oxoethyl] 2-hydroxybutanedioate
CID 139902600
[4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate
CID 142849680
(4-methylphenyl) 2-methoxyacetate
CID 142940402
(4-aminophenyl) acetate;nitrous acid
CID 174579192

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) 2-carbamoyloxyacetate?
The IUPAC name of (4-aminophenyl) 2-carbamoyloxyacetate (CID 67980081) is (4-aminophenyl) 2-carbamoyloxyacetate.
What is the SMILES notation for (4-aminophenyl) 2-carbamoyloxyacetate?
The canonical SMILES for (4-aminophenyl) 2-carbamoyloxyacetate is NC(=O)OCC(=O)Oc1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl) 2-carbamoyloxyacetate?
The InChIKey is MOQOUNSVTCWPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c10-6-1-3-7(4-2-6)15-8(12)5-14-9(11)13/h1-4H,5,10H2,(H2,11,13).
What are the key properties of (4-aminophenyl) 2-carbamoyloxyacetate?
(4-aminophenyl) 2-carbamoyloxyacetate has a molecular weight of 210.19 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) 2-carbamoyloxyacetate is sourced from PubChem (CID 67980081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).