2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid

C13H17N3O5 — CID 61478806

IUPAC2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid
SMILESCCNC(=O)C(C)NC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C13H17N3O5/c1-3-14-11(18)7(2)15-13(21)16-10-5-4-8(17)6-9(10)12(19)20/h4-7,17H,3H2,1-2H3,(H,14,18)(H,19,20)(H2,15,16,21)
InChIKeyFAVMDFCLNMCWSV-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.74
Rot. Bonds5

About 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid

2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid (PubChem CID 61478806) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid
PubChem CID61478806
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid
SMILESCCNC(=O)C(C)NC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C13H17N3O5/c1-3-14-11(18)7(2)15-13(21)16-10-5-4-8(17)6-9(10)12(19)20/h4-7,17H,3H2,1-2H3,(H,14,18)(H,19,20)(H2,15,16,21)
InChIKeyFAVMDFCLNMCWSV-UHFFFAOYSA-N
XLogP0.74
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 61478844
5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid
CID 61471337
4-bromo-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 61479101
2-(1-cyclopropylethylcarbamoylamino)-5-hydroxybenzoic acid
CID 61405929
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
CID 92541927
5-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 61465534
5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 115412185
2-chloro-6-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 63724324
5-hydroxy-2-(4-methylpentanoylamino)benzoic acid
CID 61406249
2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-hydroxybenzoic acid
CID 61406263
2-(butan-2-ylcarbamoylamino)-5-iodobenzoic acid
CID 63111617
2-[(4-amino-2-methylbutanoyl)amino]-5-hydroxybenzoic acid
CID 80543580

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid (CID 61478806) is 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid is CCNC(=O)C(C)NC(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid?
The InChIKey is FAVMDFCLNMCWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-3-14-11(18)7(2)15-13(21)16-10-5-4-8(17)6-9(10)12(19)20/h4-7,17H,3H2,1-2H3,(H,14,18)(H,19,20)(H2,15,16,21).
What are the key properties of 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid?
2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid has a molecular weight of 295.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid is sourced from PubChem (CID 61478806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).