3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid

C12H15NO5 — CID 95462842

IUPAC3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid
SMILESCCOc1ccc(OC(=O)NCCC(=O)O)cc1
InChIInChI=1S/C12H15NO5/c1-2-17-9-3-5-10(6-4-9)18-12(16)13-8-7-11(14)15/h3-6H,2,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKeySCIRPXBFQYNOFD-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.65
Rot. Bonds6

About 3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid

3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid (PubChem CID 95462842) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid
PubChem CID95462842
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid
SMILESCCOc1ccc(OC(=O)NCCC(=O)O)cc1
InChIInChI=1S/C12H15NO5/c1-2-17-9-3-5-10(6-4-9)18-12(16)13-8-7-11(14)15/h3-6H,2,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKeySCIRPXBFQYNOFD-UHFFFAOYSA-N
XLogP1.65
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate
CID 67180754
3-[(4-ethoxyphenyl)methylcarbamoylamino]propanoic acid
CID 108884286
3-[2-(4-ethoxyphenoxy)ethylamino]propanoic acid
CID 43386866
3-[4-(4-ethoxyphenyl)butanoylamino]propanoic acid
CID 82224413
3-(naphthalen-2-yloxycarbonylamino)propanoic acid
CID 82300933
3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]propanoic acid
CID 3684278
3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
CID 43088463
3-[(4-chloro-3,5-dimethylphenoxy)carbonylamino]propanoic acid
CID 82306170
6-[(4-methylsulfanylphenoxy)carbonylamino]hexanoic acid
CID 10780347
6-[(4-ethoxyphenoxy)methylcarbamoylamino]hexanoic acid
CID 108890677
ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108573122
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid?
The IUPAC name of 3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid (CID 95462842) is 3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid.
What is the SMILES notation for 3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid?
The canonical SMILES for 3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid is CCOc1ccc(OC(=O)NCCC(=O)O)cc1.
What is the InChIKey of 3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid?
The InChIKey is SCIRPXBFQYNOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-2-17-9-3-5-10(6-4-9)18-12(16)13-8-7-11(14)15/h3-6H,2,7-8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid?
3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid has a molecular weight of 253.25 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid is sourced from PubChem (CID 95462842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).