3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid

C13H18N2O5 — CID 122079532

IUPAC3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid
SMILESCCOc1ccc(OC)cc1NC(=O)NCCC(=O)O
InChIInChI=1S/C13H18N2O5/c1-3-20-11-5-4-9(19-2)8-10(11)15-13(18)14-7-6-12(16)17/h4-5,8H,3,6-7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyFAGJWAZRCLYJED-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.69
Rot. Bonds7

About 3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid

3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid (PubChem CID 122079532) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid
PubChem CID122079532
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid
SMILESCCOc1ccc(OC)cc1NC(=O)NCCC(=O)O
InChIInChI=1S/C13H18N2O5/c1-3-20-11-5-4-9(19-2)8-10(11)15-13(18)14-7-6-12(16)17/h4-5,8H,3,6-7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyFAGJWAZRCLYJED-UHFFFAOYSA-N
XLogP1.69
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-(2,5-diethoxyphenyl)urea
CID 115569945
3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide
CID 119318009
4-[(5-bromo-2-ethoxyphenyl)carbamoylamino]butanoic acid
CID 122079209
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
3-[(5-chloro-2-propoxyphenyl)carbamoylamino]propanoic acid
CID 122076804
3-[[5-bromo-2-(2-ethoxyethoxy)phenyl]carbamoylamino]propanoic acid
CID 122089119
4-[(2,5-dimethoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746034
4-(2,5-diethoxyanilino)butanoic acid
CID 18071438
4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079533
1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 17171312
2-[(2-ethoxy-5-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975949
4-[(2-ethoxy-5-nitrophenyl)carbamoylamino]butanoic acid
CID 122092537

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid (CID 122079532) is 3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid is CCOc1ccc(OC)cc1NC(=O)NCCC(=O)O.
What is the InChIKey of 3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid?
The InChIKey is FAGJWAZRCLYJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-3-20-11-5-4-9(19-2)8-10(11)15-13(18)14-7-6-12(16)17/h4-5,8H,3,6-7H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid?
3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid has a molecular weight of 282.30 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 122079532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).