2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid

C14H19NO6 — CID 86079719

IUPAC2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid
SMILESCCOc1ccc(NC(=O)OC(C)C(=O)O)cc1OCC
InChIInChI=1S/C14H19NO6/c1-4-19-11-7-6-10(8-12(11)20-5-2)15-14(18)21-9(3)13(16)17/h6-9H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKeySWDQABPWMBOGES-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.51
Rot. Bonds7

About 2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid

2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid (PubChem CID 86079719) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid.

Molecular Properties

Compound Name2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid
PubChem CID86079719
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid
SMILESCCOc1ccc(NC(=O)OC(C)C(=O)O)cc1OCC
InChIInChI=1S/C14H19NO6/c1-4-19-11-7-6-10(8-12(11)20-5-2)15-14(18)21-9(3)13(16)17/h6-9H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKeySWDQABPWMBOGES-UHFFFAOYSA-N
XLogP2.51
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dibromopropan-2-yl N-(3,4-diethoxyphenyl)carbamate
CID 13421201
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid
CID 61186187
N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853227
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912469
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid
CID 18072393
2-bromo-N-(3,4-diethoxyphenyl)butanamide
CID 62854269
zinc;propan-2-yl N-(3,4-diethoxyphenyl)carbamate;N-[1-(sulfidocarbothioylamino)propan-2-yl]carbamodithioate
CID 87493196
(2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid
CID 11042957
propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate
CID 13259854
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid?
The IUPAC name of 2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid (CID 86079719) is 2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid.
What is the SMILES notation for 2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid?
The canonical SMILES for 2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid is CCOc1ccc(NC(=O)OC(C)C(=O)O)cc1OCC.
What is the InChIKey of 2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid?
The InChIKey is SWDQABPWMBOGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-4-19-11-7-6-10(8-12(11)20-5-2)15-14(18)21-9(3)13(16)17/h6-9H,4-5H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid?
2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid has a molecular weight of 297.31 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid is sourced from PubChem (CID 86079719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).