ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate

C12H15ClN2O4 — CID 10334217

IUPACethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C12H15ClN2O4/c1-2-19-11(17)5-6-14-12(18)15-9-7-8(13)3-4-10(9)16/h3-4,7,16H,2,5-6H2,1H3,(H2,14,15,18)
InChIKeyHYXISLMFYXACAP-UHFFFAOYSA-N
MW286.71 g/mol
LogP2.12
Rot. Bonds5

About ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate

ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate (PubChem CID 10334217) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.71 g/mol. Its IUPAC name is ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate
PubChem CID10334217
Molecular FormulaC12H15ClN2O4
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Nameethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C12H15ClN2O4/c1-2-19-11(17)5-6-14-12(18)15-9-7-8(13)3-4-10(9)16/h3-4,7,16H,2,5-6H2,1H3,(H2,14,15,18)
InChIKeyHYXISLMFYXACAP-UHFFFAOYSA-N
XLogP2.12
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate
CID 10468107
1-(5-chloro-2-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874556
ethyl 3-[(3,5-dichloro-4-hydroxyphenyl)carbamoylamino]propanoate
CID 69010613
ethyl 3-(5-chloro-2-fluoroanilino)propanoate
CID 43438452
ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate
CID 108892013
ethyl 4-[(5-chloro-2-hydroxybenzoyl)amino]butanoate
CID 60520407
1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883820
1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea
CID 3671934
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea
CID 108887027
3-[(5-chloro-2-methoxycarbonylphenyl)carbamoylamino]propanoic acid
CID 122087667
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367
3-[(5-chloro-2-propoxyphenyl)carbamoylamino]propanoic acid
CID 122076804

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate?
The IUPAC name of ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate (CID 10334217) is ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate.
What is the SMILES notation for ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate?
The canonical SMILES for ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate is CCOC(=O)CCNC(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate?
The InChIKey is HYXISLMFYXACAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-2-19-11(17)5-6-14-12(18)15-9-7-8(13)3-4-10(9)16/h3-4,7,16H,2,5-6H2,1H3,(H2,14,15,18).
What are the key properties of ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate?
ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate has a molecular weight of 286.71 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate is sourced from PubChem (CID 10334217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).