ethyl carbamate;2-phenylacetic acid

C11H15NO4 — CID 153376104

IUPACethyl carbamate;2-phenylacetic acid
SMILESCCOC(N)=O.O=C(O)Cc1ccccc1
InChIInChI=1S/C8H8O2.C3H7NO2/c9-8(10)6-7-4-2-1-3-5-7;1-2-6-3(4)5/h1-5H,6H2,(H,9,10);2H2,1H3,(H2,4,5)
InChIKeyVLSGAXWQDJOLKS-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.42
Rot. Bonds3

About ethyl carbamate;2-phenylacetic acid

ethyl carbamate;2-phenylacetic acid (PubChem CID 153376104) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is ethyl carbamate;2-phenylacetic acid.

Molecular Properties

Compound Nameethyl carbamate;2-phenylacetic acid
PubChem CID153376104
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Nameethyl carbamate;2-phenylacetic acid
SMILESCCOC(N)=O.O=C(O)Cc1ccccc1
InChIInChI=1S/C8H8O2.C3H7NO2/c9-8(10)6-7-4-2-1-3-5-7;1-2-6-3(4)5/h1-5H,6H2,(H,9,10);2H2,1H3,(H2,4,5)
InChIKeyVLSGAXWQDJOLKS-UHFFFAOYSA-N
XLogP1.42
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

butylbenzene;ethyl carbamate
CID 175305774
ethyl 2-phenylacetate
CID 7590
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
copper 2-phenylacetic acid
CID 54609410
tris(2-phenylacetic acid);rhodium
CID 11168112
ethyl 2-phenylacetate;hydrate
CID 141257001
chloro hypochlorite;2-phenylacetic acid
CID 174297587
ethyl carbamate;stilbene
CID 175156091
formaldehyde;2-phenylacetic acid
CID 70638018
calcium;hydride;2-phenylacetic acid
CID 173132712
N-ethylethanamine;2-phenylacetic acid
CID 143630479

Frequently Asked Questions

What is the IUPAC name of ethyl carbamate;2-phenylacetic acid?
The IUPAC name of ethyl carbamate;2-phenylacetic acid (CID 153376104) is ethyl carbamate;2-phenylacetic acid.
What is the SMILES notation for ethyl carbamate;2-phenylacetic acid?
The canonical SMILES for ethyl carbamate;2-phenylacetic acid is CCOC(N)=O.O=C(O)Cc1ccccc1.
What is the InChIKey of ethyl carbamate;2-phenylacetic acid?
The InChIKey is VLSGAXWQDJOLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C3H7NO2/c9-8(10)6-7-4-2-1-3-5-7;1-2-6-3(4)5/h1-5H,6H2,(H,9,10);2H2,1H3,(H2,4,5).
What are the key properties of ethyl carbamate;2-phenylacetic acid?
ethyl carbamate;2-phenylacetic acid has a molecular weight of 225.24 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate;2-phenylacetic acid is sourced from PubChem (CID 153376104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).