5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid

C14H18N2O5 — CID 61435976

IUPAC5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid
SMILESCN(CC1CCCO1)C(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C14H18N2O5/c1-16(8-10-3-2-6-21-10)14(20)15-12-5-4-9(17)7-11(12)13(18)19/h4-5,7,10,17H,2-3,6,8H2,1H3,(H,15,20)(H,18,19)
InChIKeyCYEGWDABYKMXBB-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.73
Rot. Bonds4

About 5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid

5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid (PubChem CID 61435976) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid
PubChem CID61435976
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid
SMILESCN(CC1CCCO1)C(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C14H18N2O5/c1-16(8-10-3-2-6-21-10)14(20)15-12-5-4-9(17)7-11(12)13(18)19/h4-5,7,10,17H,2-3,6,8H2,1H3,(H,15,20)(H,18,19)
InChIKeyCYEGWDABYKMXBB-UHFFFAOYSA-N
XLogP1.73
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63657376
3-(2-bromo-4-methylphenyl)-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 51094112
1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95259007
3-(4-bromo-2,6-dimethylphenyl)-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 51108212
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158181
N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide
CID 95258985
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea
CID 125165219
5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 61405805
1-methyl-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95280116
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-iodobenzoic acid
CID 63112008
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid (CID 61435976) is 5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid is CN(CC1CCCO1)C(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid?
The InChIKey is CYEGWDABYKMXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-16(8-10-3-2-6-21-10)14(20)15-12-5-4-9(17)7-11(12)13(18)19/h4-5,7,10,17H,2-3,6,8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid?
5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 61435976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).