4-(2-amino-1-hydroxy-2-oxoethoxy)carbonylbenzoic acid

C10H9NO6 — CID 56985215

IUPAC4-(2-amino-1-hydroxy-2-oxoethoxy)carbonylbenzoic acid
SMILESNC(=O)C(O)OC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H9NO6/c11-7(12)10(16)17-9(15)6-3-1-5(2-4-6)8(13)14/h1-4,10,16H,(H2,11,12)(H,13,14)
InChIKeyPBNPMIWNXNYMQO-UHFFFAOYSA-N
MW239.18 g/mol
LogP-0.65
Rot. Bonds4

About 4-(2-amino-1-hydroxy-2-oxoethoxy)carbonylbenzoic acid

4-(2-amino-1-hydroxy-2-oxoethoxy)carbonylbenzoic acid (PubChem CID 56985215) has the molecular formula C10H9NO6 and a molecular weight of 239.18 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxy-2-oxoethoxy)carbonylbenzoic acid.

Molecular Properties

Compound Name4-(2-amino-1-hydroxy-2-oxoethoxy)carbonylbenzoic acid
PubChem CID56985215
Molecular FormulaC10H9NO6
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Name4-(2-amino-1-hydroxy-2-oxoethoxy)carbonylbenzoic acid
SMILESNC(=O)C(O)OC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H9NO6/c11-7(12)10(16)17-9(15)6-3-1-5(2-4-6)8(13)14/h1-4,10,16H,(H2,11,12)(H,13,14)
InChIKeyPBNPMIWNXNYMQO-UHFFFAOYSA-N
XLogP-0.65
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[2-[1,2-bis[(4-carboxybenzoyl)oxy]ethoxy]-2-(4-carboxybenzoyl)oxyethoxy]carbonylbenzoic acid
CID 22286643
bis(1-amino-1-oxopropan-2-yl) benzene-1,4-dicarboxylate
CID 24671569
terephthalic acid
CID 160582437
4-but-3-en-2-yloxycarbonylbenzoic acid
CID 54316715
4-[(1S)-1-phenylethoxy]carbonylbenzoic acid
CID 139796001
ethane-1,1-diol;terephthalic acid
CID 68971815
4-(1,4-dihydroxypentan-3-yloxycarbonyl)benzoic acid
CID 91166275
azane;4-carbonoperoxoylbenzoic acid
CID 175182628
bismuthane;terephthalic acid
CID 173299583
chromium;terephthalic acid
CID 87187082
terephthalic acid;dihydrofluoride
CID 70485309
4-(2,4-dihydroxybutoxycarbonyl)benzoic acid
CID 22728349

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxy-2-oxoethoxy)carbonylbenzoic acid?
The IUPAC name of 4-(2-amino-1-hydroxy-2-oxoethoxy)carbonylbenzoic acid (CID 56985215) is 4-(2-amino-1-hydroxy-2-oxoethoxy)carbonylbenzoic acid.
What is the SMILES notation for 4-(2-amino-1-hydroxy-2-oxoethoxy)carbonylbenzoic acid?
The canonical SMILES for 4-(2-amino-1-hydroxy-2-oxoethoxy)carbonylbenzoic acid is NC(=O)C(O)OC(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-amino-1-hydroxy-2-oxoethoxy)carbonylbenzoic acid?
The InChIKey is PBNPMIWNXNYMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO6/c11-7(12)10(16)17-9(15)6-3-1-5(2-4-6)8(13)14/h1-4,10,16H,(H2,11,12)(H,13,14).
What are the key properties of 4-(2-amino-1-hydroxy-2-oxoethoxy)carbonylbenzoic acid?
4-(2-amino-1-hydroxy-2-oxoethoxy)carbonylbenzoic acid has a molecular weight of 239.18 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxy-2-oxoethoxy)carbonylbenzoic acid is sourced from PubChem (CID 56985215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).