4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid

C14H18N2O5 — CID 107209575

IUPAC4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid
SMILESC=CCN(CCO)C(=O)Nc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C14H18N2O5/c1-3-6-16(7-8-17)14(20)15-10-4-5-11(13(18)19)12(9-10)21-2/h3-5,9,17H,1,6-8H2,2H3,(H,15,20)(H,18,19)
InChIKeyGZDMEBJRIWXOGS-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.41
Rot. Bonds7

About 4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid

4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid (PubChem CID 107209575) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid
PubChem CID107209575
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid
SMILESC=CCN(CCO)C(=O)Nc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C14H18N2O5/c1-3-6-16(7-8-17)14(20)15-10-4-5-11(13(18)19)12(9-10)21-2/h3-5,9,17H,1,6-8H2,2H3,(H,15,20)(H,18,19)
InChIKeyGZDMEBJRIWXOGS-UHFFFAOYSA-N
XLogP1.41
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 107209518
2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 107209521
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209438
5-[bis(prop-2-enyl)carbamoylamino]-2-methylbenzoic acid
CID 63654218
1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
CID 111423629
2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 103339889
2-[(4-fluoro-3-methoxyphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 114840318
2-methoxy-4-(pent-4-enoylamino)benzoic acid
CID 107208821
3-(3-bromo-4-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111475913
2-[(3-fluoro-4-methoxyphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276907
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209379
1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)-1-prop-2-enylurea
CID 111426579

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid?
The IUPAC name of 4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid (CID 107209575) is 4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid is C=CCN(CCO)C(=O)Nc1ccc(C(=O)O)c(OC)c1.
What is the InChIKey of 4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid?
The InChIKey is GZDMEBJRIWXOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-3-6-16(7-8-17)14(20)15-10-4-5-11(13(18)19)12(9-10)21-2/h3-5,9,17H,1,6-8H2,2H3,(H,15,20)(H,18,19).
What are the key properties of 4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid?
4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid is sourced from PubChem (CID 107209575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).