2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid

C14H18N2O4 — CID 63956066

IUPAC2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
SMILESCCN(CC1CC1)C(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-2-16(8-9-3-4-9)14(20)15-12-6-5-10(17)7-11(12)13(18)19/h5-7,9,17H,2-4,8H2,1H3,(H,15,20)(H,18,19)
InChIKeyVGADGIPYJQNVJE-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.35
Rot. Bonds5

About 2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid

2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid (PubChem CID 63956066) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
PubChem CID63956066
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
SMILESCCN(CC1CC1)C(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-2-16(8-9-3-4-9)14(20)15-12-6-5-10(17)7-11(12)13(18)19/h5-7,9,17H,2-4,8H2,1H3,(H,15,20)(H,18,19)
InChIKeyVGADGIPYJQNVJE-UHFFFAOYSA-N
XLogP2.35
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-iodobenzoic acid
CID 63955052
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid
CID 107400204
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63657376
2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61405932
5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 107400253
4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-3-fluorobenzoic acid
CID 107400146
2-(diethylcarbamoylamino)-5-methoxybenzoic acid
CID 113304987
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid
CID 64520014
2-chloro-5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid
CID 107400209
2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61406052
3-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 107400276
2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid
CID 64987916

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid (CID 63956066) is 2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid is CCN(CC1CC1)C(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid?
The InChIKey is VGADGIPYJQNVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-16(8-9-3-4-9)14(20)15-12-6-5-10(17)7-11(12)13(18)19/h5-7,9,17H,2-4,8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid?
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid has a molecular weight of 278.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 63956066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).