4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid

C12H15N3O5 — CID 61203198

IUPAC4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid
SMILESCC(=O)NCCNC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C12H15N3O5/c1-7(16)13-4-5-14-12(20)15-8-2-3-9(11(18)19)10(17)6-8/h2-3,6,17H,4-5H2,1H3,(H,13,16)(H,18,19)(H2,14,15,20)
InChIKeyLFVCEUHSQYQGCA-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.35
Rot. Bonds5

About 4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid

4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid (PubChem CID 61203198) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid
PubChem CID61203198
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid
SMILESCC(=O)NCCNC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C12H15N3O5/c1-7(16)13-4-5-14-12(20)15-8-2-3-9(11(18)19)10(17)6-8/h2-3,6,17H,4-5H2,1H3,(H,13,16)(H,18,19)(H2,14,15,20)
InChIKeyLFVCEUHSQYQGCA-UHFFFAOYSA-N
XLogP0.35
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 61301287
2-hydroxy-4-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469316
4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid
CID 86051660
2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid
CID 61202066
4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid
CID 62635322
4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid
CID 61181096
4-(4-acetamido-2-hydroxyphenyl)-4-oxobutanoic acid
CID 14910077
2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid
CID 61183092
4-(dodecylcarbamothioylamino)-2-hydroxybenzoic acid
CID 139668363
2-hydroxy-5-(2-methylsulfonylethylcarbamoylamino)benzoic acid
CID 61206291
2-(2-acetamidoethylcarbamoylamino)-5-iodobenzoic acid
CID 63111465
N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide
CID 47192652

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid?
The IUPAC name of 4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid (CID 61203198) is 4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid is CC(=O)NCCNC(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid?
The InChIKey is LFVCEUHSQYQGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-7(16)13-4-5-14-12(20)15-8-2-3-9(11(18)19)10(17)6-8/h2-3,6,17H,4-5H2,1H3,(H,13,16)(H,18,19)(H2,14,15,20).
What are the key properties of 4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid?
4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid has a molecular weight of 281.27 g/mol, XLogP of 0.35, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 61203198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).