ethyl carbamate;phthalic acid;prop-2-enoic acid

C14H17NO8 — CID 172775257

IUPACethyl carbamate;phthalic acid;prop-2-enoic acid
SMILESC=CC(=O)O.CCOC(N)=O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C3H7NO2.C3H4O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-6-3(4)5;1-2-3(4)5/h1-4H,(H,9,10)(H,11,12);2H2,1H3,(H2,4,5);2H,1H2,(H,4,5)
InChIKeyNMUCXGNIQFTYJE-UHFFFAOYSA-N
MW327.29 g/mol
LogP1.44
Rot. Bonds4

About ethyl carbamate;phthalic acid;prop-2-enoic acid

ethyl carbamate;phthalic acid;prop-2-enoic acid (PubChem CID 172775257) has the molecular formula C14H17NO8 and a molecular weight of 327.29 g/mol. Its IUPAC name is ethyl carbamate;phthalic acid;prop-2-enoic acid.

Molecular Properties

Compound Nameethyl carbamate;phthalic acid;prop-2-enoic acid
PubChem CID172775257
Molecular FormulaC14H17NO8
Molecular Weight327.29 g/mol
Exact Mass327.10
IUPAC Nameethyl carbamate;phthalic acid;prop-2-enoic acid
SMILESC=CC(=O)O.CCOC(N)=O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C3H7NO2.C3H4O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-6-3(4)5;1-2-3(4)5/h1-4H,(H,9,10)(H,11,12);2H2,1H3,(H2,4,5);2H,1H2,(H,4,5)
InChIKeyNMUCXGNIQFTYJE-UHFFFAOYSA-N
XLogP1.44
TPSA164.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;(Z)-but-2-enedioic acid;ethyl carbamate;prop-2-enoic acid
CID 70478744
azane;ethyl carbamate;prop-2-enoic acid
CID 172762605
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
but-2-ene;ethyl carbamate;prop-2-enoic acid
CID 174836348
phthalic acid;prop-2-enamide
CID 89485931
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
ethyl prop-2-enoate;2-(2-hydroxypropoxycarbonyl)benzoic acid
CID 174969580
ethyl carbamate;stilbene
CID 175156091
ethyl 2-methylprop-2-enoate;phthalic acid
CID 66831473
ethyl carbamate;2-(phenoxymethyl)oxirane;prop-2-enoic acid
CID 159331951
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
ethyl benzoate;phthalic acid
CID 159584831

Frequently Asked Questions

What is the IUPAC name of ethyl carbamate;phthalic acid;prop-2-enoic acid?
The IUPAC name of ethyl carbamate;phthalic acid;prop-2-enoic acid (CID 172775257) is ethyl carbamate;phthalic acid;prop-2-enoic acid.
What is the SMILES notation for ethyl carbamate;phthalic acid;prop-2-enoic acid?
The canonical SMILES for ethyl carbamate;phthalic acid;prop-2-enoic acid is C=CC(=O)O.CCOC(N)=O.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of ethyl carbamate;phthalic acid;prop-2-enoic acid?
The InChIKey is NMUCXGNIQFTYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C3H7NO2.C3H4O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-2-6-3(4)5;1-2-3(4)5/h1-4H,(H,9,10)(H,11,12);2H2,1H3,(H2,4,5);2H,1H2,(H,4,5).
What are the key properties of ethyl carbamate;phthalic acid;prop-2-enoic acid?
ethyl carbamate;phthalic acid;prop-2-enoic acid has a molecular weight of 327.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate;phthalic acid;prop-2-enoic acid is sourced from PubChem (CID 172775257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).