2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid

C14H18N2O4 — CID 61406052

IUPAC2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
SMILESCC(C1CC1)N(C)C(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-8(9-3-4-9)16(2)14(20)15-12-6-5-10(17)7-11(12)13(18)19/h5-9,17H,3-4H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyWDZNZCOBSCWYOB-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.35
Rot. Bonds4

About 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid

2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid (PubChem CID 61406052) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
PubChem CID61406052
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
SMILESCC(C1CC1)N(C)C(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-8(9-3-4-9)16(2)14(20)15-12-6-5-10(17)7-11(12)13(18)19/h5-9,17H,3-4H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyWDZNZCOBSCWYOB-UHFFFAOYSA-N
XLogP2.35
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclopropylpropanoylamino)-5-hydroxybenzoic acid
CID 83146824
3,5-dichloro-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]benzoic acid
CID 61201944
5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 61201200
2-(1-cyclopropylethylcarbamoylamino)-5-hydroxybenzoic acid
CID 61405929
5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 61405805
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63657376
2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61405932
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63956066
2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-hydroxybenzoic acid
CID 61406263
5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid
CID 61435976
2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid
CID 62416782
5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82939590

Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid (CID 61406052) is 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid is CC(C1CC1)N(C)C(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid?
The InChIKey is WDZNZCOBSCWYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8(9-3-4-9)16(2)14(20)15-12-6-5-10(17)7-11(12)13(18)19/h5-9,17H,3-4H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid?
2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid has a molecular weight of 278.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 61406052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).