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

C14H20N2O5 — CID 61186187

IUPAC2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid
SMILESCCOc1ccc(NC(=O)NC(C)C(=O)O)cc1OCC
InChIInChI=1S/C14H20N2O5/c1-4-20-11-7-6-10(8-12(11)21-5-2)16-14(19)15-9(3)13(17)18/h6-9H,4-5H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyNNSUPZVRKPYIDX-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.08
Rot. Bonds7

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

2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid (PubChem CID 61186187) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid
PubChem CID61186187
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid
SMILESCCOc1ccc(NC(=O)NC(C)C(=O)O)cc1OCC
InChIInChI=1S/C14H20N2O5/c1-4-20-11-7-6-10(8-12(11)21-5-2)16-14(19)15-9(3)13(17)18/h6-9H,4-5H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyNNSUPZVRKPYIDX-UHFFFAOYSA-N
XLogP2.08
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 78972422
2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 54967557
2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid
CID 86079719
2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid
CID 18072393
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
CID 47307419
1-(3,4-diethoxyphenyl)-3-ethenylurea
CID 108909159
(2R)-2-[(3-ethyl-4-methylphenyl)carbamoylamino]propanoic acid
CID 114189010
2-[(4-ethoxy-3-fluorophenyl)carbamoylamino]butanoic acid
CID 103996497
(2S)-2-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 55059835

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid (CID 61186187) is 2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid is CCOc1ccc(NC(=O)NC(C)C(=O)O)cc1OCC.
What is the InChIKey of 2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid?
The InChIKey is NNSUPZVRKPYIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-4-20-11-7-6-10(8-12(11)21-5-2)16-14(19)15-9(3)13(17)18/h6-9H,4-5H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid?
2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid has a molecular weight of 296.32 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 61186187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).